N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

C22H26N4O3 — CID 109107464

IUPACN-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C22H26N4O3/c1-3-20-9-4-5-10-26(20)22(29)17-11-16(13-23-14-17)21(28)25-19-8-6-7-18(12-19)24-15(2)27/h6-8,11-14,20H,3-5,9-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQPRDMFHMKWTIRQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.70
Rot. Bonds5

About N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109107464) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109107464
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C22H26N4O3/c1-3-20-9-4-5-10-26(20)22(29)17-11-16(13-23-14-17)21(28)25-19-8-6-7-18(12-19)24-15(2)27/h6-8,11-14,20H,3-5,9-10H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyQPRDMFHMKWTIRQ-UHFFFAOYSA-N
XLogP3.70
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107428
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
N-(2-ethyl-6-methylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107432
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
N-(2,4-dimethoxyphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107460
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952246

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 109107464) is N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is CCC1CCCCN1C(=O)c1cncc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is QPRDMFHMKWTIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-20-9-4-5-10-26(20)22(29)17-11-16(13-23-14-17)21(28)25-19-8-6-7-18(12-19)24-15(2)27/h6-8,11-14,20H,3-5,9-10H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109107464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).