N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H23N5O3 — CID 162628528

IUPACN-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)C(O)c1nnc2ccc(C(=O)NC3(C(N)=O)CCCC3)cn12
InChIInChI=1S/C17H23N5O3/c1-10(2)13(23)14-21-20-12-6-5-11(9-22(12)14)15(24)19-17(16(18)25)7-3-4-8-17/h5-6,9-10,13,23H,3-4,7-8H2,1-2H3,(H2,18,25)(H,19,24)
InChIKeyCKSLJTXOUJNOKH-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.95
Rot. Bonds5

About N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 162628528) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID162628528
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)C(O)c1nnc2ccc(C(=O)NC3(C(N)=O)CCCC3)cn12
InChIInChI=1S/C17H23N5O3/c1-10(2)13(23)14-21-20-12-6-5-11(9-22(12)14)15(24)19-17(16(18)25)7-3-4-8-17/h5-6,9-10,13,23H,3-4,7-8H2,1-2H3,(H2,18,25)(H,19,24)
InChIKeyCKSLJTXOUJNOKH-UHFFFAOYSA-N
XLogP0.95
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 162628528) is N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)C(O)c1nnc2ccc(C(=O)NC3(C(N)=O)CCCC3)cn12.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CKSLJTXOUJNOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(2)13(23)14-21-20-12-6-5-11(9-22(12)14)15(24)19-17(16(18)25)7-3-4-8-17/h5-6,9-10,13,23H,3-4,7-8H2,1-2H3,(H2,18,25)(H,19,24).
What are the key properties of N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 162628528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).