(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

C20H23N5O — CID 95114823

IUPAC(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CCCN(c3nnc4ccccn34)C2)c1
InChIInChI=1S/C20H23N5O/c1-15-6-4-7-16(12-15)13-21-19(26)17-8-5-10-24(14-17)20-23-22-18-9-2-3-11-25(18)20/h2-4,6-7,9,11-12,17H,5,8,10,13-14H2,1H3,(H,21,26)/t17-/m0/s1
InChIKeyOTBZUINLVFVZHL-KRWDZBQOSA-N
MW349.44 g/mol
LogP2.57
Rot. Bonds4

About (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide

(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (PubChem CID 95114823) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
PubChem CID95114823
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@H]2CCCN(c3nnc4ccccn34)C2)c1
InChIInChI=1S/C20H23N5O/c1-15-6-4-7-16(12-15)13-21-19(26)17-8-5-10-24(14-17)20-23-22-18-9-2-3-11-25(18)20/h2-4,6-7,9,11-12,17H,5,8,10,13-14H2,1H3,(H,21,26)/t17-/m0/s1
InChIKeyOTBZUINLVFVZHL-KRWDZBQOSA-N
XLogP2.57
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114585
N-(3-ethylphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203140
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 53203235
(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114598
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3R)-N-(2,4-dimethoxyphenyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114780
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
[4-(2-methylphenyl)piperazin-1-yl]-[(3R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 95114862
N-[(3-methylphenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752891
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide (CID 95114823) is (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@H]2CCCN(c3nnc4ccccn34)C2)c1.
What is the InChIKey of (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
The InChIKey is OTBZUINLVFVZHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-6-4-7-16(12-15)13-21-19(26)17-8-5-10-24(14-17)20-23-22-18-9-2-3-11-25(18)20/h2-4,6-7,9,11-12,17H,5,8,10,13-14H2,1H3,(H,21,26)/t17-/m0/s1.
What are the key properties of (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide?
(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95114823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).