3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

C19H17ClN4O2 — CID 3238049

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccn1
InChIInChI=1S/C19H17ClN4O2/c20-15-6-4-14(5-7-15)17-8-9-19(26)24(23-17)12-10-18(25)22-13-16-3-1-2-11-21-16/h1-9,11H,10,12-13H2,(H,22,25)
InChIKeyVEMVOWMEJUWEDA-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.67
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 3238049) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID3238049
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccn1
InChIInChI=1S/C19H17ClN4O2/c20-15-6-4-14(5-7-15)17-8-9-19(26)24(23-17)12-10-18(25)22-13-16-3-1-2-11-21-16/h1-9,11H,10,12-13H2,(H,22,25)
InChIKeyVEMVOWMEJUWEDA-UHFFFAOYSA-N
XLogP2.67
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 3238049) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccn1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is VEMVOWMEJUWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-6-4-14(5-7-15)17-8-9-19(26)24(23-17)12-10-18(25)22-13-16-3-1-2-11-21-16/h1-9,11H,10,12-13H2,(H,22,25).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 368.82 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 3238049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).