N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H31N5O2 — CID 91791504

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1nc2n(c1=O)CC(C(=O)NCC1CCN(C3CCCC3)CC1)CC2
InChIInChI=1S/C19H31N5O2/c1-22-19(26)24-13-15(6-7-17(24)21-22)18(25)20-12-14-8-10-23(11-9-14)16-4-2-3-5-16/h14-16H,2-13H2,1H3,(H,20,25)
InChIKeyWJKZXPDUELBVSI-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.92
Rot. Bonds4

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 91791504) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID91791504
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCn1nc2n(c1=O)CC(C(=O)NCC1CCN(C3CCCC3)CC1)CC2
InChIInChI=1S/C19H31N5O2/c1-22-19(26)24-13-15(6-7-17(24)21-22)18(25)20-12-14-8-10-23(11-9-14)16-4-2-3-5-16/h14-16H,2-13H2,1H3,(H,20,25)
InChIKeyWJKZXPDUELBVSI-UHFFFAOYSA-N
XLogP0.92
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 91791504) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cn1nc2n(c1=O)CC(C(=O)NCC1CCN(C3CCCC3)CC1)CC2.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is WJKZXPDUELBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22-19(26)24-13-15(6-7-17(24)21-22)18(25)20-12-14-8-10-23(11-9-14)16-4-2-3-5-16/h14-16H,2-13H2,1H3,(H,20,25).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 91791504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).