2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid

C16H12Cl2N4O3 — CID 167935824

IUPAC2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccn2nncc2c1)(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N4O3/c1-16(15(24)25,10-5-11(17)7-12(18)6-10)20-14(23)9-2-3-22-13(4-9)8-19-21-22/h2-8H,1H3,(H,20,23)(H,24,25)
InChIKeyHNFWEFSQMFDAED-UHFFFAOYSA-N
MW379.20 g/mol
LogP2.77
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid

2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid (PubChem CID 167935824) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid
PubChem CID167935824
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC Name2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid
SMILESCC(NC(=O)c1ccn2nncc2c1)(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N4O3/c1-16(15(24)25,10-5-11(17)7-12(18)6-10)20-14(23)9-2-3-22-13(4-9)8-19-21-22/h2-8H,1H3,(H,20,23)(H,24,25)
InChIKeyHNFWEFSQMFDAED-UHFFFAOYSA-N
XLogP2.77
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
N-methylsulfanyltriazolo[1,5-a]pyridin-5-amine
CID 166679627
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
CID 110445434
3,5-dichloro-N-(2-methyl-1-oxopropan-2-yl)benzamide
CID 175166740
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoropyridine-4-carboxamide
CID 71862054
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 167810033
3,5-dichloro-N-(4-ethylsulfanyl-2-methyl-3-oxobutan-2-yl)benzamide
CID 54220848
3-[(2-chloropyridine-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263258
2-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,5-dimethylpyrazol-3-yl]benzoyl]amino]-2-(3,4-difluorophenyl)propanoic acid
CID 172792984
2-phenyl-2-[[2-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 138051492

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid (CID 167935824) is 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid is CC(NC(=O)c1ccn2nncc2c1)(C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid?
The InChIKey is HNFWEFSQMFDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c1-16(15(24)25,10-5-11(17)7-12(18)6-10)20-14(23)9-2-3-22-13(4-9)8-19-21-22/h2-8H,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid?
2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid has a molecular weight of 379.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(triazolo[1,5-a]pyridine-5-carbonylamino)propanoic acid is sourced from PubChem (CID 167935824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).