N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C15H15ClN4O — CID 109111816

IUPACN-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C15H15ClN4O/c16-11-5-1-2-6-12(11)17-15(21)13-7-8-14(19-18-13)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,17,21)
InChIKeyRLIOAUGIXLUCNQ-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.98
Rot. Bonds3

About N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 109111816) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID109111816
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC NameN-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C15H15ClN4O/c16-11-5-1-2-6-12(11)17-15(21)13-7-8-14(19-18-13)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,17,21)
InChIKeyRLIOAUGIXLUCNQ-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
CID 109117200
methyl 3-[[6-(azepan-1-yl)pyridazine-3-carbonyl]amino]-4-chlorobenzoate
CID 109126408
N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027765
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 109111816) is N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is RLIOAUGIXLUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-11-5-1-2-6-12(11)17-15(21)13-7-8-14(19-18-13)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2,(H,17,21).
What are the key properties of N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).