N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide

C13H18N4O — CID 96523164

IUPACN-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCCC[C@@H](C#N)NC(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C13H18N4O/c1-4-5-11(8-14)16-13(18)10-6-7-12(15-9-10)17(2)3/h6-7,9,11H,4-5H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyJBLIBFSFADLLQX-NSHDSACASA-N
MW246.31 g/mol
LogP1.57
Rot. Bonds5

About N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide

N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 96523164) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID96523164
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCCC[C@@H](C#N)NC(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C13H18N4O/c1-4-5-11(8-14)16-13(18)10-6-7-12(15-9-10)17(2)3/h6-7,9,11H,4-5H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyJBLIBFSFADLLQX-NSHDSACASA-N
XLogP1.57
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109
N-(1-cyanobutyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 136574302
2-[[[6-(dimethylamino)pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219660
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682
N-(3-aminobutyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119497031
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 57037529
N-(1-cyanobutyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 71934225
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide
CID 35701839
6-(hex-1-yn-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106232900
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide (CID 96523164) is N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide is CCC[C@@H](C#N)NC(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is JBLIBFSFADLLQX-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-5-11(8-14)16-13(18)10-6-7-12(15-9-10)17(2)3/h6-7,9,11H,4-5H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanobutyl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 96523164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).