5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C20H25N3O — CID 109232264

IUPAC5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(N3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-16-7-6-8-17(11-16)13-22-20(24)18-12-19(15-21-14-18)23-9-4-2-3-5-10-23/h6-8,11-12,14-15H,2-5,9-10,13H2,1H3,(H,22,24)
InChIKeyFYIHREDKGSJLEX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.70
Rot. Bonds4

About 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109232264) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109232264
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(N3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-16-7-6-8-17(11-16)13-22-20(24)18-12-19(15-21-14-18)23-9-4-2-3-5-10-23/h6-8,11-12,14-15H,2-5,9-10,13H2,1H3,(H,22,24)
InChIKeyFYIHREDKGSJLEX-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109238422
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 109232264) is 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(N3CCCCCC3)c2)c1.
What is the InChIKey of 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FYIHREDKGSJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-7-6-8-17(11-16)13-22-20(24)18-12-19(15-21-14-18)23-9-4-2-3-5-10-23/h6-8,11-12,14-15H,2-5,9-10,13H2,1H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109232264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).