N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C18H16ClN5O2 — CID 109120732

IUPACN-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H16ClN5O2/c1-26-16-7-5-12(19)10-15(16)22-18(25)14-6-8-17(24-23-14)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyBWRVGCQGQMFHJX-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.40
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120732) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120732
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H16ClN5O2/c1-26-16-7-5-12(19)10-15(16)22-18(25)14-6-8-17(24-23-14)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyBWRVGCQGQMFHJX-UHFFFAOYSA-N
XLogP3.40
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119698
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157742
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120732) is N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is BWRVGCQGQMFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-16-7-5-12(19)10-15(16)22-18(25)14-6-8-17(24-23-14)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).