3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid

C16H14Cl2N2O4 — CID 167873818

IUPAC3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCn1cccc(C(=O)NC(Cc2cc(Cl)ccc2Cl)C(=O)O)c1=O
InChIInChI=1S/C16H14Cl2N2O4/c1-20-6-2-3-11(15(20)22)14(21)19-13(16(23)24)8-9-7-10(17)4-5-12(9)18/h2-7,13H,8H2,1H3,(H,19,21)(H,23,24)
InChIKeySQKAPWODKQEKQT-UHFFFAOYSA-N
MW369.20 g/mol
LogP2.12
Rot. Bonds5

About 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid

3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 167873818) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID167873818
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCn1cccc(C(=O)NC(Cc2cc(Cl)ccc2Cl)C(=O)O)c1=O
InChIInChI=1S/C16H14Cl2N2O4/c1-20-6-2-3-11(15(20)22)14(21)19-13(16(23)24)8-9-7-10(17)4-5-12(9)18/h2-7,13H,8H2,1H3,(H,19,21)(H,23,24)
InChIKeySQKAPWODKQEKQT-UHFFFAOYSA-N
XLogP2.12
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(2,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 50999103
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
2-[(2,4-dichlorobenzoyl)amino]-3-methylsulfanylpropanoic acid
CID 110189851
2-[(2,4-dichlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
CID 13471558
3-(5-chloro-2-hydroxybenzoyl)-1-methylpyridin-2-one
CID 13482341
(2S)-4-amino-2-[(2,5-dichlorobenzoyl)amino]-4-oxobutanoic acid
CID 29282640
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 99932630
2-bromo-4-chloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86813420
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 110730355
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (CID 167873818) is 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is Cn1cccc(C(=O)NC(Cc2cc(Cl)ccc2Cl)C(=O)O)c1=O.
What is the InChIKey of 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is SQKAPWODKQEKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-20-6-2-3-11(15(20)22)14(21)19-13(16(23)24)8-9-7-10(17)4-5-12(9)18/h2-7,13H,8H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 369.20 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167873818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).