5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide

C19H23N3O2 — CID 109196895

IUPAC5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-9-6-15(7-10-17)21-19(23)18-11-8-16(14-20-18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,23)
InChIKeyOTMKNIRWJOWSBV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds4

About 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide

5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109196895) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109196895
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-9-6-15(7-10-17)21-19(23)18-11-8-16(14-20-18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,23)
InChIKeyOTMKNIRWJOWSBV-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
N-[2-(4-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182753
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 142608158
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
2-(4-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109269659
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide (CID 109196895) is 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2ccc(N3CCCCCC3)cn2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is OTMKNIRWJOWSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-9-6-15(7-10-17)21-19(23)18-11-8-16(14-20-18)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3,(H,21,23).
What are the key properties of 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).