N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide

C19H24N4O3 — CID 47072597

IUPACN-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CC(=O)N(C)C)c2ccccc2)ccc1=O
InChIInChI=1S/C19H24N4O3/c1-4-12-23-17(24)11-10-15(21-23)19(26)20-16(13-18(25)22(2)3)14-8-6-5-7-9-14/h5-11,16H,4,12-13H2,1-3H3,(H,20,26)
InChIKeyATIHBDQSCDEFRO-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.60
Rot. Bonds7

About N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 47072597) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID47072597
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CC(=O)N(C)C)c2ccccc2)ccc1=O
InChIInChI=1S/C19H24N4O3/c1-4-12-23-17(24)11-10-15(21-23)19(26)20-16(13-18(25)22(2)3)14-8-6-5-7-9-14/h5-11,16H,4,12-13H2,1-3H3,(H,20,26)
InChIKeyATIHBDQSCDEFRO-UHFFFAOYSA-N
XLogP1.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-methylphenyl)-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 95764713
N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 39969601
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
(3R)-3-(4-chloro-3-fluorophenyl)-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 99781236
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 47072597) is N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(CC(=O)N(C)C)c2ccccc2)ccc1=O.
What is the InChIKey of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ATIHBDQSCDEFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-12-23-17(24)11-10-15(21-23)19(26)20-16(13-18(25)22(2)3)14-8-6-5-7-9-14/h5-11,16H,4,12-13H2,1-3H3,(H,20,26).
What are the key properties of N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 47072597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).