N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

C17H19ClN4O — CID 109112555

IUPACN-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H19ClN4O/c1-12-5-6-13(18)11-15(12)19-17(23)14-7-8-16(21-20-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)
InChIKeyXAOUNNAMZLHWKH-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.68
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 109112555) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID109112555
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H19ClN4O/c1-12-5-6-13(18)11-15(12)19-17(23)14-7-8-16(21-20-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)
InChIKeyXAOUNNAMZLHWKH-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
N-(5-chloro-2-methylphenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123538
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(5-chloro-2-methylphenyl)urea
CID 43991445
1-(5-chloro-2-methylphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991851
methyl 3-[[6-(azepan-1-yl)pyridazine-3-carbonyl]amino]-4-chlorobenzoate
CID 109126408

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 109112555) is N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is XAOUNNAMZLHWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-5-6-13(18)11-15(12)19-17(23)14-7-8-16(21-20-14)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109112555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).