4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C19H21N5O2 — CID 70774566

IUPAC4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c1-12-11-13(2)20-18(25)16(12)19(26)23-9-6-14(7-10-23)17-22-21-15-5-3-4-8-24(15)17/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,20,25)
InChIKeyRRKVZZLNAAJXLP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.05
Rot. Bonds2

About 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70774566) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70774566
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(=O)[nH]1
InChIInChI=1S/C19H21N5O2/c1-12-11-13(2)20-18(25)16(12)19(26)23-9-6-14(7-10-23)17-22-21-15-5-3-4-8-24(15)17/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,20,25)
InChIKeyRRKVZZLNAAJXLP-UHFFFAOYSA-N
XLogP2.05
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70774566) is 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is RRKVZZLNAAJXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-11-13(2)20-18(25)16(12)19(26)23-9-6-14(7-10-23)17-22-21-15-5-3-4-8-24(15)17/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,20,25).
What are the key properties of 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70774566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).