N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C19H18ClN5O2 — CID 109120786

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C19H18ClN5O2/c1-12-9-16(17(27-2)10-14(12)20)23-19(26)15-6-7-18(25-24-15)22-11-13-5-3-4-8-21-13/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFPABONRBWBRNNO-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.71
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120786) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120786
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C19H18ClN5O2/c1-12-9-16(17(27-2)10-14(12)20)23-19(26)15-6-7-18(25-24-15)22-11-13-5-3-4-8-21-13/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFPABONRBWBRNNO-UHFFFAOYSA-N
XLogP3.71
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120732
N-(4-chloro-2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118337
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157742
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120786) is N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is FPABONRBWBRNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-12-9-16(17(27-2)10-14(12)20)23-19(26)15-6-7-18(25-24-15)22-11-13-5-3-4-8-21-13/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).