4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one

C19H16ClN3O2 — CID 167643635

IUPAC4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one
SMILESCn1nccc(CC(=O)c2ccc(Cc3cccc(Cl)c3)cn2)c1=O
InChIInChI=1S/C19H16ClN3O2/c1-23-19(25)15(7-8-22-23)11-18(24)17-6-5-14(12-21-17)9-13-3-2-4-16(20)10-13/h2-8,10,12H,9,11H2,1H3
InChIKeyPNIKJLZGSNAJAS-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one

4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one (PubChem CID 167643635) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one
PubChem CID167643635
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one
SMILESCn1nccc(CC(=O)c2ccc(Cc3cccc(Cl)c3)cn2)c1=O
InChIInChI=1S/C19H16ClN3O2/c1-23-19(25)15(7-8-22-23)11-18(24)17-6-5-14(12-21-17)9-13-3-2-4-16(20)10-13/h2-8,10,12H,9,11H2,1H3
InChIKeyPNIKJLZGSNAJAS-UHFFFAOYSA-N
XLogP2.84
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
2-(3-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105078195
1-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091371
2-[[5-[(3-chlorophenyl)methyl]-2-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 139512375
4-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-amine
CID 82024385
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63975698
[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 125011634
5-[(3-chlorophenoxy)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 155153106
[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616594
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
1-[3-[(3-chlorophenyl)methyl]phenyl]ethanone
CID 10705500

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one?
The IUPAC name of 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one (CID 167643635) is 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one is Cn1nccc(CC(=O)c2ccc(Cc3cccc(Cl)c3)cn2)c1=O.
What is the InChIKey of 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one?
The InChIKey is PNIKJLZGSNAJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-23-19(25)15(7-8-22-23)11-18(24)17-6-5-14(12-21-17)9-13-3-2-4-16(20)10-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one?
4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one has a molecular weight of 353.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxoethyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 167643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).