N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide

C19H17ClN4O2 — CID 109119766

IUPACN-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nn2)c1
InChIInChI=1S/C19H17ClN4O2/c1-26-15-7-4-6-14(11-15)22-18-10-9-17(23-24-18)19(25)21-12-13-5-2-3-8-16(13)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyCXJQSKUYOFLQDB-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109119766) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109119766
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nn2)c1
InChIInChI=1S/C19H17ClN4O2/c1-26-15-7-4-6-14(11-15)22-18-10-9-17(23-24-18)19(25)21-12-13-5-2-3-8-16(13)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyCXJQSKUYOFLQDB-UHFFFAOYSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-[(2-chlorophenyl)methylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109119781
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
N-[(2-chlorophenyl)methyl]-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109119784
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
6-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120120
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
N-(2,5-dichlorophenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129273
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide (CID 109119766) is N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)NCc3ccccc3Cl)nn2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is CXJQSKUYOFLQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-15-7-4-6-14(11-15)22-18-10-9-17(23-24-18)19(25)21-12-13-5-2-3-8-16(13)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(3-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109119766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).