3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C21H17ClN4O — CID 95112953

IUPAC3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESC[C@H](NC(=O)c1ccn2c(-c3ccc(Cl)cc3)nnc2c1)c1ccccc1
InChIInChI=1S/C21H17ClN4O/c1-14(15-5-3-2-4-6-15)23-21(27)17-11-12-26-19(13-17)24-25-20(26)16-7-9-18(22)10-8-16/h2-14H,1H3,(H,23,27)/t14-/m0/s1
InChIKeyIZMMUSHXMANOAW-AWEZNQCLSA-N
MW376.85 g/mol
LogP4.54
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 95112953) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID95112953
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESC[C@H](NC(=O)c1ccn2c(-c3ccc(Cl)cc3)nnc2c1)c1ccccc1
InChIInChI=1S/C21H17ClN4O/c1-14(15-5-3-2-4-6-15)23-21(27)17-11-12-26-19(13-17)24-25-20(26)16-7-9-18(22)10-8-16/h2-14H,1H3,(H,23,27)/t14-/m0/s1
InChIKeyIZMMUSHXMANOAW-AWEZNQCLSA-N
XLogP4.54
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide with MolForge

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Related Compounds

3-(2-bromophenyl)-N-(1-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197060
N-[(2R)-butan-2-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 95112957
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 94859815
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
3-chloro-N-(1-phenylethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768800
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 95112953) is 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is C[C@H](NC(=O)c1ccn2c(-c3ccc(Cl)cc3)nnc2c1)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is IZMMUSHXMANOAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-14(15-5-3-2-4-6-15)23-21(27)17-11-12-26-19(13-17)24-25-20(26)16-7-9-18(22)10-8-16/h2-14H,1H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 95112953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).