N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide

C17H14ClN5O — CID 113041630

IUPACN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)c1cccnc1
InChIInChI=1S/C17H14ClN5O/c18-14-5-3-12(4-6-14)10-20-15-7-8-16(23-22-15)21-17(24)13-2-1-9-19-11-13/h1-9,11H,10H2,(H,20,22)(H,21,23,24)
InChIKeyWEMRBYRQUMXUGK-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.39
Rot. Bonds5

About N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113041630) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113041630
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)c1cccnc1
InChIInChI=1S/C17H14ClN5O/c18-14-5-3-12(4-6-14)10-20-15-7-8-16(23-22-15)21-17(24)13-2-1-9-19-11-13/h1-9,11H,10H2,(H,20,22)(H,21,23,24)
InChIKeyWEMRBYRQUMXUGK-UHFFFAOYSA-N
XLogP3.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
N-[2-[(4-chlorophenyl)methylcarbamoyl]-4-iodophenyl]pyridine-3-carboxamide
CID 1307020
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041596
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide (CID 113041630) is N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide is O=C(Nc1ccc(NCc2ccc(Cl)cc2)nn1)c1cccnc1.
What is the InChIKey of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is WEMRBYRQUMXUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-14-5-3-12(4-6-14)10-20-15-7-8-16(23-22-15)21-17(24)13-2-1-9-19-11-13/h1-9,11H,10H2,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113041630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).