N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide

C16H18F2N4O2 — CID 138683759

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cnccc1C(=O)NCC(=O)N1CC(F)(F)CC1C#N
InChIInChI=1S/C16H18F2N4O2/c1-10(2)13-7-20-4-3-12(13)15(24)21-8-14(23)22-9-16(17,18)5-11(22)6-19/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,21,24)
InChIKeyPEIQTLCOPKRKBQ-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide (PubChem CID 138683759) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide
PubChem CID138683759
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cnccc1C(=O)NCC(=O)N1CC(F)(F)CC1C#N
InChIInChI=1S/C16H18F2N4O2/c1-10(2)13-7-20-4-3-12(13)15(24)21-8-14(23)22-9-16(17,18)5-11(22)6-19/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,21,24)
InChIKeyPEIQTLCOPKRKBQ-UHFFFAOYSA-N
XLogP1.69
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide (CID 138683759) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide is CC(C)c1cnccc1C(=O)NCC(=O)N1CC(F)(F)CC1C#N.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide?
The InChIKey is PEIQTLCOPKRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c1-10(2)13-7-20-4-3-12(13)15(24)21-8-14(23)22-9-16(17,18)5-11(22)6-19/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 138683759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).