N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

C19H17BrN6O2 — CID 5454901

IUPACN-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1nn(C)cc1Br)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C19H17BrN6O2/c1-12(23-24-19(28)17-16(20)11-26(2)25-17)13-3-5-15(6-4-13)22-18(27)14-7-9-21-10-8-14/h3-11H,1-2H3,(H,22,27)(H,24,28)/b23-12+
InChIKeyPQVWNWPBZPBNER-FSJBWODESA-N
MW441.29 g/mol
LogP2.98
Rot. Bonds5

About N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide

N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (PubChem CID 5454901) has the molecular formula C19H17BrN6O2 and a molecular weight of 441.29 g/mol. Its IUPAC name is N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
PubChem CID5454901
Molecular FormulaC19H17BrN6O2
Molecular Weight441.29 g/mol
Exact Mass440.06
IUPAC NameN-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1nn(C)cc1Br)c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C19H17BrN6O2/c1-12(23-24-19(28)17-16(20)11-26(2)25-17)13-3-5-15(6-4-13)22-18(27)14-7-9-21-10-8-14/h3-11H,1-2H3,(H,22,27)(H,24,28)/b23-12+
InChIKeyPQVWNWPBZPBNER-FSJBWODESA-N
XLogP2.98
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-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

1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
N-[(E)-1-[4-[(3-fluorobenzoyl)amino]phenyl]ethylideneamino]-1-methylpyrazole-3-carboxamide
CID 7695693
4-bromo-N'-[(2-chloro-3-quinolinyl)methylene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 9618022
N-[4-(4-bromo-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 6463138
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-pyridinyl)benzamide
CID 826943
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360
N'-{[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}isonicotinohydrazide
CID 9583955
N-(2-methylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16193925
3-(Propan-2-YL)-N'-[(1E)-1-(pyridin-4-YL)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 44723927
N-(2-bromo-4-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 832004

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide (CID 5454901) is N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is C/C(=N\NC(=O)c1nn(C)cc1Br)c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is PQVWNWPBZPBNER-FSJBWODESA-N. The full InChI is InChI=1S/C19H17BrN6O2/c1-12(23-24-19(28)17-16(20)11-26(2)25-17)13-3-5-15(6-4-13)22-18(27)14-7-9-21-10-8-14/h3-11H,1-2H3,(H,22,27)(H,24,28)/b23-12+.
What are the key properties of N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide?
N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 441.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 5454901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).