N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide

C18H21N3O2 — CID 109202795

IUPACN-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H21N3O2/c1-3-4-9-19-15-8-10-20-17(12-15)18(23)21-16-7-5-6-14(11-16)13(2)22/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyRUFANINAUHVYGJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.75
Rot. Bonds7

About N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide

N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide (PubChem CID 109202795) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
PubChem CID109202795
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
SMILESCCCCNc1ccnc(C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H21N3O2/c1-3-4-9-19-15-8-10-20-17(12-15)18(23)21-16-7-5-6-14(11-16)13(2)22/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyRUFANINAUHVYGJ-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.75
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

N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208005
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
4-(3-acetylanilino)-N-pentylpyridine-2-carboxamide
CID 109217551
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211919
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
N-(3,5-dichlorophenyl)-4-(pentylamino)pyridine-2-carboxamide
CID 109217686
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide (CID 109202795) is N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide is CCCCNc1ccnc(C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide?
The InChIKey is RUFANINAUHVYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-4-9-19-15-8-10-20-17(12-15)18(23)21-16-7-5-6-14(11-16)13(2)22/h5-8,10-12H,3-4,9H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).