3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide

C19H25ClN4O2 — CID 5046062

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C19H25ClN4O2/c1-3-23(4-2)14-12-21-18(25)11-13-24-19(26)10-9-17(22-24)15-5-7-16(20)8-6-15/h5-10H,3-4,11-14H2,1-2H3,(H,21,25)
InChIKeyQVJKAFRKMBUCDO-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.41
Rot. Bonds9

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

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 5046062) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide
PubChem CID5046062
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C19H25ClN4O2/c1-3-23(4-2)14-12-21-18(25)11-13-24-19(26)10-9-17(22-24)15-5-7-16(20)8-6-15/h5-10H,3-4,11-14H2,1-2H3,(H,21,25)
InChIKeyQVJKAFRKMBUCDO-UHFFFAOYSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.41
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-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide (CID 5046062) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is QVJKAFRKMBUCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-3-23(4-2)14-12-21-18(25)11-13-24-19(26)10-9-17(22-24)15-5-7-16(20)8-6-15/h5-10H,3-4,11-14H2,1-2H3,(H,21,25).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 376.89 g/mol, XLogP of 2.41, 9 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-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 5046062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).