5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine

C56H75N11O7 — CID 160894920

IUPAC5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC(=O)Cc1ccc(CO)nc1.Cc1ccc(CCC(=O)Cc2ccc(CO)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.Nc1ccc(C(=O)O)nc1.Nc1ccc(CO)nc1
InChIInChI=1S/C22H29N3O2.C13H21N3.C9H11NO2.C6H6N2O2.C6H8N2O/c1-16-9-11-25(12-10-16)22-19(5-3-17(2)24-22)6-8-21(27)13-18-4-7-20(15-26)23-14-18;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-7(12)4-8-2-3-9(6-11)10-5-8;7-4-1-2-5(6(9)10)8-3-4;7-5-1-2-6(4-9)8-3-5/h3-5,7,14,16,26H,6,8-13,15H2,1-2H3;3-4,10H,5-9,14H2,1-2H3;2-3,5,11H,4,6H2,1H3;1-3H,7H2,(H,9,10);1-3,9H,4,7H2
InChIKeySOSXPFQANBDBEW-UHFFFAOYSA-N
MW1014.29 g/mol
LogP6.57
Rot. Bonds14

About 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine

5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine (PubChem CID 160894920) has the molecular formula C56H75N11O7 and a molecular weight of 1014.29 g/mol. Its IUPAC name is 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
PubChem CID160894920
Molecular FormulaC56H75N11O7
Molecular Weight1014.29 g/mol
Exact Mass1013.59
IUPAC Name5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
SMILESCC(=O)Cc1ccc(CO)nc1.Cc1ccc(CCC(=O)Cc2ccc(CO)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.Nc1ccc(C(=O)O)nc1.Nc1ccc(CO)nc1
InChIInChI=1S/C22H29N3O2.C13H21N3.C9H11NO2.C6H6N2O2.C6H8N2O/c1-16-9-11-25(12-10-16)22-19(5-3-17(2)24-22)6-8-21(27)13-18-4-7-20(15-26)23-14-18;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-7(12)4-8-2-3-9(6-11)10-5-8;7-4-1-2-5(6(9)10)8-3-4;7-5-1-2-6(4-9)8-3-5/h3-5,7,14,16,26H,6,8-13,15H2,1-2H3;3-4,10H,5-9,14H2,1-2H3;2-3,5,11H,4,6H2,1H3;1-3H,7H2,(H,9,10);1-3,9H,4,7H2
InChIKeySOSXPFQANBDBEW-UHFFFAOYSA-N
XLogP6.57
TPSA294.01 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001014.29
LogP ≤ 56.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

5-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 67128133
3-amino-4,4,4-trifluorobutan-1-ol;(9S)-5-[5-hydroxy-3-(trifluoromethyl)pentanoyl]-N-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxylic acid
CID 157290745
(9S)-3-methyl-8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxylic acid;(9S)-3-methyl-N-pyridin-2-yl-5-(4,4,4-trifluorobutanoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;2,2,2-trifluoroethanamine
CID 157307630
2-Cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;methane;2-methyl-5-propan-2-ylpyrazine;hexakis(2-methyl-5-propan-2-ylpyridine);methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157896763
(9S)-3-methyl-8-(pyridin-2-ylcarbamoyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxylic acid;(9S)-3-methyl-N-pyridin-2-yl-5-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(2R)-1,1,1-trifluoropropan-2-amine
CID 157999163
3-Tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine;5-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-4-methylpyridine;2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pyridine;bis(5-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)pyridine);3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-3,3-difluorobutan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2,2-difluoropropan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2-fluoropropan-1-one
CID 158265440
2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;ethyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159561606
3-methylpyridine-2-carboxylic acid;(9S)-N-(3-methyl-2-pyridinyl)-5-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(3S)-4,4,4-trifluoro-3-methyl-1-[(9S)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-5-yl]butan-1-one
CID 159821946
2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylpyridine;N,5-di(propan-2-yl)pyridin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;ethyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-ylpyridine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-propylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 160831153
3-Tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine;5-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-4-methylpyridine;2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pyridine;bis(5-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)pyridine);3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-3,3-difluorobutan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2,2-difluoropropan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2-fluoropropan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one
CID 161656198
8-(tert-butylamino)-N-methoxy-N,3-dimethyl-1,7-naphthyridine-6-carboxamide;8-(tert-butylamino)-3-methyl-1,7-naphthyridine-6-carboxylic acid;1-[8-(tert-butylamino)-3-methyl-1,7-naphthyridin-6-yl]pentan-1-one;1-[8-(tert-butylamino)-3-methyl-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-ol;2,2,2-trifluoroacetaldehyde
CID 164990280
8-(Tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carbonitrile;8-(tert-butylamino)-3-(trifluoromethyl)-1,7-naphthyridine-6-carboxylic acid;8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridine-6-carboxylic acid;[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]-morpholin-4-ylmethanone;1-[8-(tert-butylamino)-3-(trifluoromethyl)-1,2,3,4-tetrahydro-1,7-naphthyridin-6-yl]pentan-1-one
CID 165085213

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine (CID 160894920) is 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine is CC(=O)Cc1ccc(CO)nc1.Cc1ccc(CCC(=O)Cc2ccc(CO)nc2)c(N2CCC(C)CC2)n1.Cc1ccc(CN)c(N2CCC(C)CC2)n1.Nc1ccc(C(=O)O)nc1.Nc1ccc(CO)nc1.
What is the InChIKey of 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is SOSXPFQANBDBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C13H21N3.C9H11NO2.C6H6N2O2.C6H8N2O/c1-16-9-11-25(12-10-16)22-19(5-3-17(2)24-22)6-8-21(27)13-18-4-7-20(15-26)23-14-18;1-10-5-7-16(8-6-10)13-12(9-14)4-3-11(2)15-13;1-7(12)4-8-2-3-9(6-11)10-5-8;7-4-1-2-5(6(9)10)8-3-4;7-5-1-2-6(4-9)8-3-5/h3-5,7,14,16,26H,6,8-13,15H2,1-2H3;3-4,10H,5-9,14H2,1-2H3;2-3,5,11H,4,6H2,1H3;1-3H,7H2,(H,9,10);1-3,9H,4,7H2.
What are the key properties of 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine?
5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 1014.29 g/mol, XLogP of 6.57, 14 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carboxylic acid;(5-amino-2-pyridinyl)methanol;1-[6-(hydroxymethyl)-3-pyridinyl]-4-[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]butan-2-one;1-[6-(hydroxymethyl)-3-pyridinyl]propan-2-one;[6-methyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 160894920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).