4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

C21H27N3O2 — CID 109218677

IUPAC4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(N3CCCCCC3)ccn2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-19-9-7-17(8-10-19)23-21(25)20-15-18(11-12-22-20)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyGEHYIKFOGROJGM-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.50
Rot. Bonds5

About 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109218677) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109218677
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(N3CCCCCC3)ccn2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-19-9-7-17(8-10-19)23-21(25)20-15-18(11-12-22-20)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyGEHYIKFOGROJGM-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-piperidin-1-yl-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109204673
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109218677) is 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(N3CCCCCC3)ccn2)cc1.
What is the InChIKey of 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is GEHYIKFOGROJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-19-9-7-17(8-10-19)23-21(25)20-15-18(11-12-22-20)24-13-5-3-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,25).
What are the key properties of 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).