2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol

C28H35N3O5 — CID 145269327

IUPAC2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol
SMILESCO.Cc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2cc(O)cc(C=O)c2)cnc1N
InChIInChI=1S/C14H20O.C13H11N3O3.CH4O/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14;14-12-11(13(15)19)4-9(5-16-12)8-1-7(6-17)2-10(18)3-8;1-2/h7-9,14H,3-6,10H2,1-2H3;1-6,18H,(H2,14,16)(H2,15,19);2H,1H3
InChIKeyZUNNPPDMQPKCFU-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.32
Rot. Bonds6

About 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol

2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol (PubChem CID 145269327) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol.

Molecular Properties

Compound Name2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol
PubChem CID145269327
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Name2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol
SMILESCO.Cc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2cc(O)cc(C=O)c2)cnc1N
InChIInChI=1S/C14H20O.C13H11N3O3.CH4O/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14;14-12-11(13(15)19)4-9(5-16-12)8-1-7(6-17)2-10(18)3-8;1-2/h7-9,14H,3-6,10H2,1-2H3;1-6,18H,(H2,14,16)(H2,15,19);2H,1H3
InChIKeyZUNNPPDMQPKCFU-UHFFFAOYSA-N
XLogP4.32
TPSA148.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269532
2-amino-5-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene
CID 145269484
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;N,1-dimethylpiperidin-4-amine;methanamine
CID 145269301
3-amino-5-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]carbamoyl]-3-pyridinyl]benzoic acid
CID 126644195
2-amino-5-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide;cyclopentyloxymethylbenzene
CID 145269161
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-(hydroxymethyl)-3-methylphenyl]pyridine-3-carboxamide
CID 126644947
3-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]carbamoyl]-3-pyridinyl]-5-hydroxybenzoic acid
CID 166560949
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxamide;1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-4-methylpiperazine
CID 145269236
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644660
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[3-[[[(3S)-piperidin-3-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 126644492
2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;cyclopentylmethoxymethylbenzene
CID 145269176
3-amino-5-[6-amino-5-[[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]carbamoyl]-3-pyridinyl]benzoic acid
CID 166560925

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol?
The IUPAC name of 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol (CID 145269327) is 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol.
What is the SMILES notation for 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol?
The canonical SMILES for 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol is CO.Cc1ccc(COC2CCCC2)cc1C.NC(=O)c1cc(-c2cc(O)cc(C=O)c2)cnc1N.
What is the InChIKey of 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol?
The InChIKey is ZUNNPPDMQPKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O.C13H11N3O3.CH4O/c1-11-7-8-13(9-12(11)2)10-15-14-5-3-4-6-14;14-12-11(13(15)19)4-9(5-16-12)8-1-7(6-17)2-10(18)3-8;1-2/h7-9,14H,3-6,10H2,1-2H3;1-6,18H,(H2,14,16)(H2,15,19);2H,1H3.
What are the key properties of 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol?
2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol has a molecular weight of 493.60 g/mol, XLogP of 4.32, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-formyl-5-hydroxyphenyl)pyridine-3-carboxamide;4-(cyclopentyloxymethyl)-1,2-dimethylbenzene;methanol is sourced from PubChem (CID 145269327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).