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

C17H18F2N4O2 — CID 138683782

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide
SMILESCC1(c2cnccc2C(=O)NCC(=O)N2CC(F)(F)CC2C#N)CC1
InChIInChI=1S/C17H18F2N4O2/c1-16(3-4-16)13-8-21-5-2-12(13)15(25)22-9-14(24)23-10-17(18,19)6-11(23)7-20/h2,5,8,11H,3-4,6,9-10H2,1H3,(H,22,25)
InChIKeyBMXKEATUWNJZDV-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.62
Rot. Bonds4

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

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide (PubChem CID 138683782) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide
PubChem CID138683782
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide
SMILESCC1(c2cnccc2C(=O)NCC(=O)N2CC(F)(F)CC2C#N)CC1
InChIInChI=1S/C17H18F2N4O2/c1-16(3-4-16)13-8-21-5-2-12(13)15(25)22-9-14(24)23-10-17(18,19)6-11(23)7-20/h2,5,8,11H,3-4,6,9-10H2,1H3,(H,22,25)
InChIKeyBMXKEATUWNJZDV-UHFFFAOYSA-N
XLogP1.62
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.62
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-(1-methylcyclopropyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide (CID 138683782) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide is CC1(c2cnccc2C(=O)NCC(=O)N2CC(F)(F)CC2C#N)CC1.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide?
The InChIKey is BMXKEATUWNJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-16(3-4-16)13-8-21-5-2-12(13)15(25)22-9-14(24)23-10-17(18,19)6-11(23)7-20/h2,5,8,11H,3-4,6,9-10H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(1-methylcyclopropyl)pyridine-4-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 1.62, 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-(1-methylcyclopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 138683782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).