3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C20H23ClN6O — CID 50848584

IUPAC3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccn3c(-c4cccc(Cl)c4)nnc3c2)CC1
InChIInChI=1S/C20H23ClN6O/c1-25-9-11-26(12-10-25)8-6-22-20(28)16-5-7-27-18(14-16)23-24-19(27)15-3-2-4-17(21)13-15/h2-5,7,13-14H,6,8-12H2,1H3,(H,22,28)
InChIKeyYMCKCMHMXJHVTP-UHFFFAOYSA-N
MW398.90 g/mol
LogP2.03
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 50848584) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID50848584
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCN1CCN(CCNC(=O)c2ccn3c(-c4cccc(Cl)c4)nnc3c2)CC1
InChIInChI=1S/C20H23ClN6O/c1-25-9-11-26(12-10-25)8-6-22-20(28)16-5-7-27-18(14-16)23-24-19(27)15-3-2-4-17(21)13-15/h2-5,7,13-14H,6,8-12H2,1H3,(H,22,28)
InChIKeyYMCKCMHMXJHVTP-UHFFFAOYSA-N
XLogP2.03
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 50848583
3-(3-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53197148
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 53196971
5-methyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329893
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 53148940

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 50848584) is 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is CN1CCN(CCNC(=O)c2ccn3c(-c4cccc(Cl)c4)nnc3c2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is YMCKCMHMXJHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-25-9-11-26(12-10-25)8-6-22-20(28)16-5-7-27-18(14-16)23-24-19(27)15-3-2-4-17(21)13-15/h2-5,7,13-14H,6,8-12H2,1H3,(H,22,28).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 398.90 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 50848584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).