(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide

C14H17N5O2 — CID 125145251

IUPAC(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3CCCCC(=O)N3)cn2n1
InChIInChI=1S/C14H17N5O2/c1-9-15-12-7-6-10(8-19(12)18-9)16-14(21)11-4-2-3-5-13(20)17-11/h6-8,11H,2-5H2,1H3,(H,16,21)(H,17,20)/t11-/m1/s1
InChIKeyJXUILCAVLRQPGZ-LLVKDONJSA-N
MW287.32 g/mol
LogP1.04
Rot. Bonds2

About (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide

(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide (PubChem CID 125145251) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
PubChem CID125145251
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3CCCCC(=O)N3)cn2n1
InChIInChI=1S/C14H17N5O2/c1-9-15-12-7-6-10(8-19(12)18-9)16-14(21)11-4-2-3-5-13(20)17-11/h6-8,11H,2-5H2,1H3,(H,16,21)(H,17,20)/t11-/m1/s1
InChIKeyJXUILCAVLRQPGZ-LLVKDONJSA-N
XLogP1.04
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 128707268
4-methyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3,5-dioxopiperazine-1-carboxamide
CID 154787253
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
ethyl 2-hydroxy-5-[[(2R)-7-oxoazepane-2-carbonyl]amino]benzoate
CID 125143991
(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide
CID 146125547
2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
CID 167811800
N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 5102257
(2R)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-6-oxopiperidine-2-carboxamide
CID 146122029
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 75417416
(2R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-5-oxopyrrolidine-2-carboxamide
CID 124504924
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide?
The IUPAC name of (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide (CID 125145251) is (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide is Cc1nc2ccc(NC(=O)[C@H]3CCCCC(=O)N3)cn2n1.
What is the InChIKey of (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide?
The InChIKey is JXUILCAVLRQPGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-15-12-7-6-10(8-19(12)18-9)16-14(21)11-4-2-3-5-13(20)17-11/h6-8,11H,2-5H2,1H3,(H,16,21)(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide?
(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 125145251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).