N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide

C16H17N5O — CID 136533507

IUPACN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1
InChIInChI=1S/C16H17N5O/c1-10-13(7-8-17-10)16(22)18-12-5-6-14-19-20-15(21(14)9-12)11-3-2-4-11/h5-9,11,17H,2-4H2,1H3,(H,18,22)
InChIKeyLCXFTSJTHOYJOS-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.89
Rot. Bonds3

About N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 136533507) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID136533507
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1
InChIInChI=1S/C16H17N5O/c1-10-13(7-8-17-10)16(22)18-12-5-6-14-19-20-15(21(14)9-12)11-3-2-4-11/h5-9,11,17H,2-4H2,1H3,(H,18,22)
InChIKeyLCXFTSJTHOYJOS-UHFFFAOYSA-N
XLogP2.89
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126785197
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 126771557
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 127944775
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide
CID 126794289
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
CID 83893633
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]urea
CID 99793967
3-cyclopentyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800490
N-cyclopentyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134800675
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 166215842
6-methyl-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138783

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide (CID 136533507) is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)Nc1ccc2nnc(C3CCC3)n2c1.
What is the InChIKey of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is LCXFTSJTHOYJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-13(7-8-17-10)16(22)18-12-5-6-14-19-20-15(21(14)9-12)11-3-2-4-11/h5-9,11,17H,2-4H2,1H3,(H,18,22).
What are the key properties of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide?
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 136533507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).