3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide

C26H24N4O — CID 92619804

IUPAC3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide
SMILESCc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2
InChIInChI=1S/C26H24N4O/c1-18-28-29-25-15-14-22(17-30(18)25)20-10-7-11-21(16-20)26(31)27-24-13-6-5-12-23(24)19-8-3-2-4-9-19/h2-13,16,22H,14-15,17H2,1H3,(H,27,31)/t22-/m0/s1
InChIKeyCUHQDIDBTAODPV-QFIPXVFZSA-N
MW408.51 g/mol
LogP5.24
Rot. Bonds4

About 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide

3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide (PubChem CID 92619804) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide
PubChem CID92619804
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide
SMILESCc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2
InChIInChI=1S/C26H24N4O/c1-18-28-29-25-15-14-22(17-30(18)25)20-10-7-11-21(16-20)26(31)27-24-13-6-5-12-23(24)19-8-3-2-4-9-19/h2-13,16,22H,14-15,17H2,1H3,(H,27,31)/t22-/m0/s1
InChIKeyCUHQDIDBTAODPV-QFIPXVFZSA-N
XLogP5.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide with MolForge

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Related Compounds

N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide
CID 92619784
N,N-dimethyl-4-[3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzoyl]piperazine-1-sulfonamide
CID 92619844
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
3-(carbamoylamino)-N-(2-phenylphenyl)benzamide
CID 78767991
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
(3R)-3-phenyl-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1433497
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891396
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
3-(2-methoxyethoxy)-N-(2-phenylphenyl)benzamide
CID 60564696
3-(2-amino-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 35743593

Frequently Asked Questions

What is the IUPAC name of 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide?
The IUPAC name of 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide (CID 92619804) is 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide is Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2.
What is the InChIKey of 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide?
The InChIKey is CUHQDIDBTAODPV-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24N4O/c1-18-28-29-25-15-14-22(17-30(18)25)20-10-7-11-21(16-20)26(31)27-24-13-6-5-12-23(24)19-8-3-2-4-9-19/h2-13,16,22H,14-15,17H2,1H3,(H,27,31)/t22-/m0/s1.
What are the key properties of 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide?
3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide has a molecular weight of 408.51 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 92619804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).