4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C20H22N4O2 — CID 125435112

IUPAC4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1nc2c(C)cc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cn2n1
InChIInChI=1S/C20H22N4O2/c1-13-10-17(12-24-19(13)22-14(2)23-24)15-5-7-16(8-6-15)20(25)21-11-18-4-3-9-26-18/h5-8,10,12,18H,3-4,9,11H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyCWNCLHXNNNAIEE-SFHVURJKSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds4

About 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 125435112) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID125435112
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1nc2c(C)cc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cn2n1
InChIInChI=1S/C20H22N4O2/c1-13-10-17(12-24-19(13)22-14(2)23-24)15-5-7-16(8-6-15)20(25)21-11-18-4-3-9-26-18/h5-8,10,12,18H,3-4,9,11H2,1-2H3,(H,21,25)/t18-/m0/s1
InChIKeyCWNCLHXNNNAIEE-SFHVURJKSA-N
XLogP2.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
N-(oxolan-2-ylmethyl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490780
N-[[(2R)-oxolan-2-yl]methyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 97497055
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-methyl-N-(oxolan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110849530
N-[[(2R)-oxolan-2-yl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 126433758
4-(1,4-dimethylindazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125445329
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 125435112) is 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1nc2c(C)cc(-c3ccc(C(=O)NC[C@@H]4CCCO4)cc3)cn2n1.
What is the InChIKey of 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is CWNCLHXNNNAIEE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-10-17(12-24-19(13)22-14(2)23-24)15-5-7-16(8-6-15)20(25)21-11-18-4-3-9-26-18/h5-8,10,12,18H,3-4,9,11H2,1-2H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 125435112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).