4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide

C19H23N3O2 — CID 109217551

IUPAC4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C19H23N3O2/c1-3-4-5-10-21-19(24)18-13-17(9-11-20-18)22-16-8-6-7-15(12-16)14(2)23/h6-9,11-13H,3-5,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyZZQILXXSINGIIB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.95
Rot. Bonds8

About 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide

4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide (PubChem CID 109217551) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
PubChem CID109217551
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1cc(Nc2cccc(C(C)=O)c2)ccn1
InChIInChI=1S/C19H23N3O2/c1-3-4-5-10-21-19(24)18-13-17(9-11-20-18)22-16-8-6-7-15(12-16)14(2)23/h6-9,11-13H,3-5,10H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyZZQILXXSINGIIB-UHFFFAOYSA-N
XLogP3.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-acetylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354575
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
4-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109211673
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
N-pentyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213415

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide?
The IUPAC name of 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide (CID 109217551) is 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1cc(Nc2cccc(C(C)=O)c2)ccn1.
What is the InChIKey of 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide?
The InChIKey is ZZQILXXSINGIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-5-10-21-19(24)18-13-17(9-11-20-18)22-16-8-6-7-15(12-16)14(2)23/h6-9,11-13H,3-5,10H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide?
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 109217551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).