2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide

C18H14ClFN4O2 — CID 41241044

IUPAC2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1cccnc1Cl
InChIInChI=1S/C18H14ClFN4O2/c19-17-14(2-1-9-21-17)18(26)22-10-11-24-16(25)8-7-15(23-24)12-3-5-13(20)6-4-12/h1-9H,10-11H2,(H,22,26)
InChIKeyJZAWYPBFHPWNCP-UHFFFAOYSA-N
MW372.79 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide

2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 41241044) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID41241044
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1cccnc1Cl
InChIInChI=1S/C18H14ClFN4O2/c19-17-14(2-1-9-21-17)18(26)22-10-11-24-16(25)8-7-15(23-24)12-3-5-13(20)6-4-12/h1-9H,10-11H2,(H,22,26)
InChIKeyJZAWYPBFHPWNCP-UHFFFAOYSA-N
XLogP2.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 18569757
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-fluorobenzamide
CID 41241135
2-bromo-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-5-methoxybenzamide
CID 121033399
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4-difluorobenzamide
CID 41241218
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033501
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 121033466
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-phenoxybenzamide
CID 121033316
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-iodobenzamide
CID 41241252
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 26635822
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide (CID 41241044) is 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide is O=C(NCCn1nc(-c2ccc(F)cc2)ccc1=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is JZAWYPBFHPWNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c19-17-14(2-1-9-21-17)18(26)22-10-11-24-16(25)8-7-15(23-24)12-3-5-13(20)6-4-12/h1-9H,10-11H2,(H,22,26).
What are the key properties of 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide?
2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 41241044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).