5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C21H27N3O2 — CID 109241366

IUPAC5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(N3CCCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-9-7-18(8-10-20)23-21(25)17-13-19(15-22-14-17)24-11-5-3-4-6-12-24/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyWYQNLTLYKVOLIA-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.50
Rot. Bonds5

About 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109241366) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109241366
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cncc(N3CCCCCC3)c2)cc1
InChIInChI=1S/C21H27N3O2/c1-16(2)26-20-9-7-18(8-10-20)23-21(25)17-13-19(15-22-14-17)24-11-5-3-4-6-12-24/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,23,25)
InChIKeyWYQNLTLYKVOLIA-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

5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
CID 1227276
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109102415

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109241366) is 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccc(NC(=O)c2cncc(N3CCCCCC3)c2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is WYQNLTLYKVOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(2)26-20-9-7-18(8-10-20)23-21(25)17-13-19(15-22-14-17)24-11-5-3-4-6-12-24/h7-10,13-16H,3-6,11-12H2,1-2H3,(H,23,25).
What are the key properties of 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-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 5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).