N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C16H21N5O2 — CID 94024374

IUPACN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NC[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H21N5O2/c22-15(17-9-12-6-8-19(10-12)13-4-5-13)11-21-16(23)20-7-2-1-3-14(20)18-21/h1-3,7,12-13H,4-6,8-11H2,(H,17,22)/t12-/m1/s1
InChIKeyJKPGXLXROOQIKJ-GFCCVEGCSA-N
MW315.38 g/mol
LogP0.10
Rot. Bonds5

About N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 94024374) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID94024374
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2ccccn2c1=O)NC[C@H]1CCN(C2CC2)C1
InChIInChI=1S/C16H21N5O2/c22-15(17-9-12-6-8-19(10-12)13-4-5-13)11-21-16(23)20-7-2-1-3-14(20)18-21/h1-3,7,12-13H,4-6,8-11H2,(H,17,22)/t12-/m1/s1
InChIKeyJKPGXLXROOQIKJ-GFCCVEGCSA-N
XLogP0.10
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 71894914
2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119546709
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537846
N-(2-methylprop-2-enyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 114618575
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 119625181
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134007097
2-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 120658991
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 42958854
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134019436
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide
CID 166181192
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 94024374) is N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2ccccn2c1=O)NC[C@H]1CCN(C2CC2)C1.
What is the InChIKey of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is JKPGXLXROOQIKJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-15(17-9-12-6-8-19(10-12)13-4-5-13)11-21-16(23)20-7-2-1-3-14(20)18-21/h1-3,7,12-13H,4-6,8-11H2,(H,17,22)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 94024374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).