N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide

C24H24BrN3O2 — CID 46864752

IUPACN-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cc1)C(CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C24H24BrN3O2/c1-28(24(30)19-10-12-20(25)13-11-19)21(17-18-7-3-2-4-8-18)14-16-27-23(29)22-9-5-6-15-26-22/h2-13,15,21H,14,16-17H2,1H3,(H,27,29)
InChIKeyPDFHDLSPNYUBTO-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.35
Rot. Bonds8

About N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide

N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide (PubChem CID 46864752) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
PubChem CID46864752
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC NameN-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(Br)cc1)C(CCNC(=O)c1ccccn1)Cc1ccccc1
InChIInChI=1S/C24H24BrN3O2/c1-28(24(30)19-10-12-20(25)13-11-19)21(17-18-7-3-2-4-8-18)14-16-27-23(29)22-9-5-6-15-26-22/h2-13,15,21H,14,16-17H2,1H3,(H,27,29)
InChIKeyPDFHDLSPNYUBTO-UHFFFAOYSA-N
XLogP4.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160
N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864903
N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
CID 46864663
N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
CID 59475209
N-[(3R,4S)-3-[benzoyl(methyl)amino]-4-hydroxy-4-phenylbutyl]pyridine-2-carboxamide
CID 59475150
N,2-dimethyl-N-[4-[(6-methylpyridine-2-carbonyl)amino]-1-phenylbutan-2-yl]pyrimidine-4-carboxamide
CID 67248249
N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
CID 46864706
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
CID 67247612
4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
CID 4789969
N-[(3S)-3-[1-benzofuran-3-carbonyl(methyl)amino]-4-phenylbutyl]-6-methylpyridine-2-carboxamide
CID 67262261
N-[(3S)-3-[benzoyl(methyl)amino]-4-phenylbutyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 59475141

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide (CID 46864752) is N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide is CN(C(=O)c1ccc(Br)cc1)C(CCNC(=O)c1ccccn1)Cc1ccccc1.
What is the InChIKey of N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
The InChIKey is PDFHDLSPNYUBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-28(24(30)19-10-12-20(25)13-11-19)21(17-18-7-3-2-4-8-18)14-16-27-23(29)22-9-5-6-15-26-22/h2-13,15,21H,14,16-17H2,1H3,(H,27,29).
What are the key properties of N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide?
N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide has a molecular weight of 466.38 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide is sourced from PubChem (CID 46864752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).