N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C19H24ClN5O — CID 155153161

IUPACN-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NC1CCC(Cc2cccc(Cl)c2)CN1)C1CCn2cnnc2C1
InChIInChI=1S/C19H24ClN5O/c20-16-3-1-2-13(9-16)8-14-4-5-17(21-11-14)23-19(26)15-6-7-25-12-22-24-18(25)10-15/h1-3,9,12,14-15,17,21H,4-8,10-11H2,(H,23,26)
InChIKeyRLNHLSRZKLAKOM-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.18
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 155153161) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID155153161
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESO=C(NC1CCC(Cc2cccc(Cl)c2)CN1)C1CCn2cnnc2C1
InChIInChI=1S/C19H24ClN5O/c20-16-3-1-2-13(9-16)8-14-4-5-17(21-11-14)23-19(26)15-6-7-25-12-22-24-18(25)10-15/h1-3,9,12,14-15,17,21H,4-8,10-11H2,(H,23,26)
InChIKeyRLNHLSRZKLAKOM-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-6-(2-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 155153060
3-[(2S,5R)-5-benzylpiperidin-2-yl]-1-(3-chlorophenyl)-1-methylurea
CID 142001111
1-(3-chlorophenyl)-3-[5-[(4-fluorophenyl)methyl]piperidin-2-yl]-1-methylurea
CID 70195927
1-[[(2S,5S)-5-benzylpiperidin-2-yl]methyl]-3-(3-chlorophenyl)urea
CID 22966140
N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-5-ethylpyrrolidine-3-carboxamide
CID 139522091
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
N-[5-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1,6-dimethyldiazinane-3-carboxamide
CID 155152936
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 155153026
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 155153161) is N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is O=C(NC1CCC(Cc2cccc(Cl)c2)CN1)C1CCn2cnnc2C1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is RLNHLSRZKLAKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c20-16-3-1-2-13(9-16)8-14-4-5-17(21-11-14)23-19(26)15-6-7-25-12-22-24-18(25)10-15/h1-3,9,12,14-15,17,21H,4-8,10-11H2,(H,23,26).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 155153161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).