N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide

C18H15BrN4O — CID 113036060

IUPACN-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccnc3)nc2)c(Br)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-6-16(15(19)9-12)22-14-5-7-17(21-11-14)23-18(24)13-3-2-8-20-10-13/h2-11,22H,1H3,(H,21,23,24)
InChIKeyLZDNMDBUIXHFKV-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide

N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 113036060) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID113036060
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3cccnc3)nc2)c(Br)c1
InChIInChI=1S/C18H15BrN4O/c1-12-4-6-16(15(19)9-12)22-14-5-7-17(21-11-14)23-18(24)13-3-2-8-20-10-13/h2-11,22H,1H3,(H,21,23,24)
InChIKeyLZDNMDBUIXHFKV-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]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

N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[5-(4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031564
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-(4-ethoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034364
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
1-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113021474

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide (CID 113036060) is N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide is Cc1ccc(Nc2ccc(NC(=O)c3cccnc3)nc2)c(Br)c1.
What is the InChIKey of N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is LZDNMDBUIXHFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-4-6-16(15(19)9-12)22-14-5-7-17(21-11-14)23-18(24)13-3-2-8-20-10-13/h2-11,22H,1H3,(H,21,23,24).
What are the key properties of N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide?
N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromo-4-methylanilino)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113036060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).