5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H22N4O2 — CID 109106016

IUPAC5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H22N4O2/c24-18(22-12-15-6-5-7-20-11-15)16-10-17(14-21-13-16)19(25)23-8-3-1-2-4-9-23/h5-7,10-11,13-14H,1-4,8-9,12H2,(H,22,24)
InChIKeyJNUOJNSNBZJWIB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.42
Rot. Bonds4

About 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109106016) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109106016
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H22N4O2/c24-18(22-12-15-6-5-7-20-11-15)16-10-17(14-21-13-16)19(25)23-8-3-1-2-4-9-23/h5-7,10-11,13-14H,1-4,8-9,12H2,(H,22,24)
InChIKeyJNUOJNSNBZJWIB-UHFFFAOYSA-N
XLogP2.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(4-methylphenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102850
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
5-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109105830
2-(azepan-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506694
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109106016) is 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cncc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is JNUOJNSNBZJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(22-12-15-6-5-7-20-11-15)16-10-17(14-21-13-16)19(25)23-8-3-1-2-4-9-23/h5-7,10-11,13-14H,1-4,8-9,12H2,(H,22,24).
What are the key properties of 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109106016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).