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

C19H17F2N5O2 — CID 138683771

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(-c2cnccc2C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccn1
InChIInChI=1S/C19H17F2N5O2/c1-12-6-13(2-5-24-12)16-9-23-4-3-15(16)18(28)25-10-17(27)26-11-19(20,21)7-14(26)8-22/h2-6,9,14H,7,10-11H2,1H3,(H,25,28)
InChIKeyAOQWJBUZLQHOLA-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.94
Rot. Bonds4

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

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide (PubChem CID 138683771) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
PubChem CID138683771
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
SMILESCc1cc(-c2cnccc2C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccn1
InChIInChI=1S/C19H17F2N5O2/c1-12-6-13(2-5-24-12)16-9-23-4-3-15(16)18(28)25-10-17(27)26-11-19(20,21)7-14(26)8-22/h2-6,9,14H,7,10-11H2,1H3,(H,25,28)
InChIKeyAOQWJBUZLQHOLA-UHFFFAOYSA-N
XLogP1.94
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.94
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]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide (CID 138683771) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide is Cc1cc(-c2cnccc2C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccn1.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
The InChIKey is AOQWJBUZLQHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-12-6-13(2-5-24-12)16-9-23-4-3-15(16)18(28)25-10-17(27)26-11-19(20,21)7-14(26)8-22/h2-6,9,14H,7,10-11H2,1H3,(H,25,28).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 1.94, 4 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]-3-(2-methyl-4-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 138683771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).