N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide

C20H24N4O2 — CID 109241376

IUPACN-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCCCC3)c2)cc1
InChIInChI=1S/C20H24N4O2/c1-15(25)22-17-6-8-18(9-7-17)23-20(26)16-12-19(14-21-13-16)24-10-4-2-3-5-11-24/h6-9,12-14H,2-5,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyDENPWJMOVJBCFD-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.67
Rot. Bonds4

About N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide

N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide (PubChem CID 109241376) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
PubChem CID109241376
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCCCC3)c2)cc1
InChIInChI=1S/C20H24N4O2/c1-15(25)22-17-6-8-18(9-7-17)23-20(26)16-12-19(14-21-13-16)24-10-4-2-3-5-11-24/h6-9,12-14H,2-5,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyDENPWJMOVJBCFD-UHFFFAOYSA-N
XLogP3.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
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
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide (CID 109241376) is N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCCCC3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide?
The InChIKey is DENPWJMOVJBCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(25)22-17-6-8-18(9-7-17)23-20(26)16-12-19(14-21-13-16)24-10-4-2-3-5-11-24/h6-9,12-14H,2-5,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109241376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).