N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

C20H19ClN4O2 — CID 121101013

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(Cl)cc1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C20H19ClN4O2/c1-14(20(27)23-12-10-15-4-6-17(21)7-5-15)25-19(26)9-8-18(24-25)16-3-2-11-22-13-16/h2-9,11,13-14H,10,12H2,1H3,(H,23,27)
InChIKeyLBHJWRWIQMKFHX-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (PubChem CID 121101013) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
PubChem CID121101013
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(Cl)cc1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C20H19ClN4O2/c1-14(20(27)23-12-10-15-4-6-17(21)7-5-15)25-19(26)9-8-18(24-25)16-3-2-11-22-13-16/h2-9,11,13-14H,10,12H2,1H3,(H,23,27)
InChIKeyLBHJWRWIQMKFHX-UHFFFAOYSA-N
XLogP2.88
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101287
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101057
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100932
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 121100867
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101067
N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100938
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100920
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101075

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (CID 121101013) is N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is CC(C(=O)NCCc1ccc(Cl)cc1)n1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The InChIKey is LBHJWRWIQMKFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-14(20(27)23-12-10-15-4-6-17(21)7-5-15)25-19(26)9-8-18(24-25)16-3-2-11-22-13-16/h2-9,11,13-14H,10,12H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide has a molecular weight of 382.85 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).