N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide

C19H16BrN3O — CID 23632442

IUPACN-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1Nc1cccc(Br)c1
InChIInChI=1S/C19H16BrN3O/c20-15-8-4-9-16(12-15)23-18-17(10-5-11-21-18)19(24)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,23)(H,22,24)
InChIKeyNTZKDTFACWUVAU-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.52
Rot. Bonds5

About N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide

N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide (PubChem CID 23632442) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
PubChem CID23632442
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cccnc1Nc1cccc(Br)c1
InChIInChI=1S/C19H16BrN3O/c20-15-8-4-9-16(12-15)23-18-17(10-5-11-21-18)19(24)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,23)(H,22,24)
InChIKeyNTZKDTFACWUVAU-UHFFFAOYSA-N
XLogP4.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 23632578
N-(3-bromophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632769
N-benzyl-2-nitropyridine-3-carboxamide
CID 19034724
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
2-[(3-bromophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 16719157
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide (CID 23632442) is N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide is O=C(NCc1ccccc1)c1cccnc1Nc1cccc(Br)c1.
What is the InChIKey of N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide?
The InChIKey is NTZKDTFACWUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-15-8-4-9-16(12-15)23-18-17(10-5-11-21-18)19(24)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide?
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).