N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

C21H21ClN4O2 — CID 109118337

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C21H21ClN4O2/c1-13-5-4-6-15(9-13)12-23-20-8-7-17(25-26-20)21(27)24-18-10-14(2)16(22)11-19(18)28-3/h4-11H,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyOAMXAVGIVOWXTA-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.62
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118337) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118337
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(NCc2cccc(C)c2)nn1
InChIInChI=1S/C21H21ClN4O2/c1-13-5-4-6-15(9-13)12-23-20-8-7-17(25-26-20)21(27)24-18-10-14(2)16(22)11-19(18)28-3/h4-11H,12H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyOAMXAVGIVOWXTA-UHFFFAOYSA-N
XLogP4.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
N-(2-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118339
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121501
N-(4-chloro-2,5-dimethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110369

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118337) is N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(NCc2cccc(C)c2)nn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is OAMXAVGIVOWXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-5-4-6-15(9-13)12-23-20-8-7-17(25-26-20)21(27)24-18-10-14(2)16(22)11-19(18)28-3/h4-11H,12H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).