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

C19H17ClN4O2 — CID 3611294

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cccnc1
InChIInChI=1S/C19H17ClN4O2/c20-16-5-3-15(4-6-16)17-7-8-19(26)24(23-17)11-9-18(25)22-13-14-2-1-10-21-12-14/h1-8,10,12H,9,11,13H2,(H,22,25)
InChIKeyWSOBAEVJOIKDNK-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.67
Rot. Bonds6

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

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 3611294) 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-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID3611294
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cccnc1
InChIInChI=1S/C19H17ClN4O2/c20-16-5-3-15(4-6-16)17-7-8-19(26)24(23-17)11-9-18(25)22-13-14-2-1-10-21-12-14/h1-8,10,12H,9,11,13H2,(H,22,25)
InChIKeyWSOBAEVJOIKDNK-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-3-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 3611294) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1cccnc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is WSOBAEVJOIKDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-16-5-3-15(4-6-16)17-7-8-19(26)24(23-17)11-9-18(25)22-13-14-2-1-10-21-12-14/h1-8,10,12H,9,11,13H2,(H,22,25).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(pyridin-3-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-3-ylmethyl)propanamide is sourced from PubChem (CID 3611294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).