3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide

C14H19N3O2 — CID 17392187

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)C
InChIInChI=1S/C14H19N3O2/c1-8(2)16-13(18)6-5-11-9(3)12(7-15)14(19)17-10(11)4/h8H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDTFQJFWTRXEUCP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.32
Rot. Bonds4

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide (PubChem CID 17392187) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide
PubChem CID17392187
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)C
InChIInChI=1S/C14H19N3O2/c1-8(2)16-13(18)6-5-11-9(3)12(7-15)14(19)17-10(11)4/h8H,5-6H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDTFQJFWTRXEUCP-UHFFFAOYSA-N
XLogP1.32
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide (CID 17392187) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide?
The InChIKey is DTFQJFWTRXEUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)16-13(18)6-5-11-9(3)12(7-15)14(19)17-10(11)4/h8H,5-6H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 17392187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).