3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid

C16H13ClN4O3 — CID 75421347

IUPAC3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc2nncn2c1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN4O3/c17-12-4-2-1-3-11(12)13(7-15(22)23)19-16(24)10-5-6-14-20-18-9-21(14)8-10/h1-6,8-9,13H,7H2,(H,19,24)(H,22,23)
InChIKeyRMIQLADQGAXLGW-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.33
Rot. Bonds5

About 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid

3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid (PubChem CID 75421347) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid
PubChem CID75421347
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc2nncn2c1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN4O3/c17-12-4-2-1-3-11(12)13(7-15(22)23)19-16(24)10-5-6-14-20-18-9-21(14)8-10/h1-6,8-9,13H,7H2,(H,19,24)(H,22,23)
InChIKeyRMIQLADQGAXLGW-UHFFFAOYSA-N
XLogP2.33
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
(3S)-3-(2-chlorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 94022754
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063
(3S)-3-(2-chlorophenyl)-3-[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 95770938
3-(2-chlorophenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 45430554
N-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71862115
(3S)-3-(2-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 94182414
N-[2-[(2-methyl-2-pyridin-2-ylpropanoyl)amino]-1-(4-propan-2-ylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167956957
N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 56822521
3-(2-chlorophenyl)-3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 51078597
3-(2-chlorophenyl)-3-[[2-(2,2-dimethylpropanoylamino)pyridine-4-carbonyl]amino]propanoic acid
CID 142770067
N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164614195

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid (CID 75421347) is 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid is O=C(O)CC(NC(=O)c1ccc2nncn2c1)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid?
The InChIKey is RMIQLADQGAXLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-12-4-2-1-3-11(12)13(7-15(22)23)19-16(24)10-5-6-14-20-18-9-21(14)8-10/h1-6,8-9,13H,7H2,(H,19,24)(H,22,23).
What are the key properties of 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid?
3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid has a molecular weight of 344.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridine-6-carbonylamino)propanoic acid is sourced from PubChem (CID 75421347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).