N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H14F2N4O3 — CID 138683791

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccc1=O
InChIInChI=1S/C14H14F2N4O3/c1-19-7-9(2-3-11(19)21)13(23)18-6-12(22)20-8-14(15,16)4-10(20)5-17/h2-3,7,10H,4,6,8H2,1H3,(H,18,23)
InChIKeySIYMHGHAXCUYAY-UHFFFAOYSA-N
MW324.29 g/mol
LogP-0.13
Rot. Bonds3

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 138683791) has the molecular formula C14H14F2N4O3 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID138683791
Molecular FormulaC14H14F2N4O3
Molecular Weight324.29 g/mol
Exact Mass324.10
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccc1=O
InChIInChI=1S/C14H14F2N4O3/c1-19-7-9(2-3-11(19)21)13(23)18-6-12(22)20-8-14(15,16)4-10(20)5-17/h2-3,7,10H,4,6,8H2,1H3,(H,18,23)
InChIKeySIYMHGHAXCUYAY-UHFFFAOYSA-N
XLogP-0.13
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 138683791) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccc1=O.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is SIYMHGHAXCUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O3/c1-19-7-9(2-3-11(19)21)13(23)18-6-12(22)20-8-14(15,16)4-10(20)5-17/h2-3,7,10H,4,6,8H2,1H3,(H,18,23).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 324.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 138683791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).