N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide

C17H21N5O — CID 119515290

IUPACN-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cn1
InChIInChI=1S/C17H21N5O/c18-15-7-6-14(12-19-15)21-17(23)13-5-8-16(20-11-13)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H2,18,19)(H,21,23)
InChIKeyXWVNWZGFDAMFMQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.69
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide

N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide (PubChem CID 119515290) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
PubChem CID119515290
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
SMILESNc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cn1
InChIInChI=1S/C17H21N5O/c18-15-7-6-14(12-19-15)21-17(23)13-5-8-16(20-11-13)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H2,18,19)(H,21,23)
InChIKeyXWVNWZGFDAMFMQ-UHFFFAOYSA-N
XLogP2.69
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
3-(methanesulfonamido)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 24612207
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide (CID 119515290) is N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide is Nc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
The InChIKey is XWVNWZGFDAMFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c18-15-7-6-14(12-19-15)21-17(23)13-5-8-16(20-11-13)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H2,18,19)(H,21,23).
What are the key properties of N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide?
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 119515290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).