(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide

C16H19ClN4O2 — CID 97327707

IUPAC(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C16H19ClN4O2/c1-20(2)15(22)12(9-11-7-5-4-6-8-11)19-13-10-18-21(3)16(23)14(13)17/h4-8,10,12,19H,9H2,1-3H3/t12-/m0/s1
InChIKeyKQNALJDOIWZPHX-LBPRGKRZSA-N
MW334.81 g/mol
LogP1.55
Rot. Bonds5

About (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide

(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide (PubChem CID 97327707) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide
PubChem CID97327707
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C16H19ClN4O2/c1-20(2)15(22)12(9-11-7-5-4-6-8-11)19-13-10-18-21(3)16(23)14(13)17/h4-8,10,12,19H,9H2,1-3H3/t12-/m0/s1
InChIKeyKQNALJDOIWZPHX-LBPRGKRZSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide with MolForge

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Related Compounds

tert-butyl 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-phenylpropanoate
CID 133452930
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
CID 115612275
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
5-[(1-benzylimidazol-2-yl)methylamino]-4-chloro-2-methylpyridazin-3-one
CID 133324149
3-chloro-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxybenzamide
CID 75390611
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
(2R)-2-(2-cyano-4-nitroanilino)-N,N-dimethyl-3-phenylpropanamide
CID 97327701
2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 75433246

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide (CID 97327707) is (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide is CN(C)C(=O)[C@H](Cc1ccccc1)Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
The InChIKey is KQNALJDOIWZPHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20(2)15(22)12(9-11-7-5-4-6-8-11)19-13-10-18-21(3)16(23)14(13)17/h4-8,10,12,19H,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide has a molecular weight of 334.81 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 97327707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).