N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C15H14ClFN4O — CID 71778476

IUPACN-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C15H14ClFN4O/c16-11-9-10(3-4-12(11)17)18-15(22)13-5-6-14(20-19-13)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,22)
InChIKeyKJOYBUNQHQYKPC-UHFFFAOYSA-N
MW320.76 g/mol
LogP3.12
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778476) has the molecular formula C15H14ClFN4O and a molecular weight of 320.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71778476
Molecular FormulaC15H14ClFN4O
Molecular Weight320.76 g/mol
Exact Mass320.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C15H14ClFN4O/c16-11-9-10(3-4-12(11)17)18-15(22)13-5-6-14(20-19-13)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,22)
InChIKeyKJOYBUNQHQYKPC-UHFFFAOYSA-N
XLogP3.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123541
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027923
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
N-(3-chloro-4-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805109
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71778476) is N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is KJOYBUNQHQYKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4O/c16-11-9-10(3-4-12(11)17)18-15(22)13-5-6-14(20-19-13)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).