N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

C24H28N6O2 — CID 78890504

IUPACN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C1CCCN1Cc1cccc(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)c1
InChIInChI=1S/C24H28N6O2/c31-22-8-4-11-29(22)17-19-6-3-5-18(15-19)16-25-24(32)28-13-9-20(10-14-28)23-27-26-21-7-1-2-12-30(21)23/h1-3,5-7,12,15,20H,4,8-11,13-14,16-17H2,(H,25,32)
InChIKeySQWZAYKLLBYFOV-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.94
Rot. Bonds5

About N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 78890504) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID78890504
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C1CCCN1Cc1cccc(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)c1
InChIInChI=1S/C24H28N6O2/c31-22-8-4-11-29(22)17-19-6-3-5-18(15-19)16-25-24(32)28-13-9-20(10-14-28)23-27-26-21-7-1-2-12-30(21)23/h1-3,5-7,12,15,20H,4,8-11,13-14,16-17H2,(H,25,32)
InChIKeySQWZAYKLLBYFOV-UHFFFAOYSA-N
XLogP2.94
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 78890504) is N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is O=C1CCCN1Cc1cccc(CNC(=O)N2CCC(c3nnc4ccccn34)CC2)c1.
What is the InChIKey of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is SQWZAYKLLBYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c31-22-8-4-11-29(22)17-19-6-3-5-18(15-19)16-25-24(32)28-13-9-20(10-14-28)23-27-26-21-7-1-2-12-30(21)23/h1-3,5-7,12,15,20H,4,8-11,13-14,16-17H2,(H,25,32).
What are the key properties of N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 78890504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).