N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide

C23H23N3O3 — CID 46547921

IUPACN-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-3-14-29-21-11-9-17(10-12-21)22(27)25-19-7-4-8-20(15-19)26-23(28)18-6-5-13-24-16-18/h4-13,15-16H,2-3,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyFGCIJWVJAFCSBU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.77
Rot. Bonds8

About N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide

N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 46547921) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID46547921
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-2-3-14-29-21-11-9-17(10-12-21)22(27)25-19-7-4-8-20(15-19)26-23(28)18-6-5-13-24-16-18/h4-13,15-16H,2-3,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyFGCIJWVJAFCSBU-UHFFFAOYSA-N
XLogP4.77
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide (CID 46547921) is N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide is CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3)c2)cc1.
What is the InChIKey of N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is FGCIJWVJAFCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-3-14-29-21-11-9-17(10-12-21)22(27)25-19-7-4-8-20(15-19)26-23(28)18-6-5-13-24-16-18/h4-13,15-16H,2-3,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide?
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).