5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide

C15H24N4O — CID 61241531

IUPAC5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C15H24N4O/c1-12-14(10-13(16)11-18-12)15(20)17-6-9-19-7-4-2-3-5-8-19/h10-11H,2-9,16H2,1H3,(H,17,20)
InChIKeyPYFHZXHXFYLLEM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds4

About 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide

5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide (PubChem CID 61241531) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
PubChem CID61241531
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(N)cc1C(=O)NCCN1CCCCCC1
InChIInChI=1S/C15H24N4O/c1-12-14(10-13(16)11-18-12)15(20)17-6-9-19-7-4-2-3-5-8-19/h10-11H,2-9,16H2,1H3,(H,17,20)
InChIKeyPYFHZXHXFYLLEM-UHFFFAOYSA-N
XLogP1.58
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865
5-amino-2-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 54917300
5-amino-2-methyl-N-[(1-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 55259473
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
CID 114187151

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide (CID 61241531) is 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide is Cc1ncc(N)cc1C(=O)NCCN1CCCCCC1.
What is the InChIKey of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide?
The InChIKey is PYFHZXHXFYLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-14(10-13(16)11-18-12)15(20)17-6-9-19-7-4-2-3-5-8-19/h10-11H,2-9,16H2,1H3,(H,17,20).
What are the key properties of 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide?
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 61241531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).