2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide

C18H29N5O — CID 135101015

IUPAC2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C)C3(CCN(C)CC3)C2)nc1C
InChIInChI=1S/C18H29N5O/c1-13-11-15(16(19)24)17(20-14(13)2)23-10-9-22(4)18(12-23)5-7-21(3)8-6-18/h11H,5-10,12H2,1-4H3,(H2,19,24)
InChIKeyJOUKQJYIPPGIEU-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.01
Rot. Bonds2

About 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide

2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide (PubChem CID 135101015) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
PubChem CID135101015
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C)C3(CCN(C)CC3)C2)nc1C
InChIInChI=1S/C18H29N5O/c1-13-11-15(16(19)24)17(20-14(13)2)23-10-9-22(4)18(12-23)5-7-21(3)8-6-18/h11H,5-10,12H2,1-4H3,(H2,19,24)
InChIKeyJOUKQJYIPPGIEU-UHFFFAOYSA-N
XLogP1.01
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 134704499
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 154907806
5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
CID 135088257
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146525770
2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
CID 86283097
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
2-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 95885523

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide (CID 135101015) is 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2CCN(C)C3(CCN(C)CC3)C2)nc1C.
What is the InChIKey of 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is JOUKQJYIPPGIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13-11-15(16(19)24)17(20-14(13)2)23-10-9-22(4)18(12-23)5-7-21(3)8-6-18/h11H,5-10,12H2,1-4H3,(H2,19,24).
What are the key properties of 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide?
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 135101015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).