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

C18H21F2N5O2 — CID 138683668

IUPACN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide
SMILESN#CC1CC(F)(F)CN1C(=O)CNC(=O)c1ccncc1C1CCNCC1
InChIInChI=1S/C18H21F2N5O2/c19-18(20)7-13(8-21)25(11-18)16(26)10-24-17(27)14-3-6-23-9-15(14)12-1-4-22-5-2-12/h3,6,9,12-13,22H,1-2,4-5,7,10-11H2,(H,24,27)
InChIKeyNWKFNFCOAYSGTM-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.04
Rot. Bonds4

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

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide (PubChem CID 138683668) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide
PubChem CID138683668
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC NameN-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide
SMILESN#CC1CC(F)(F)CN1C(=O)CNC(=O)c1ccncc1C1CCNCC1
InChIInChI=1S/C18H21F2N5O2/c19-18(20)7-13(8-21)25(11-18)16(26)10-24-17(27)14-3-6-23-9-15(14)12-1-4-22-5-2-12/h3,6,9,12-13,22H,1-2,4-5,7,10-11H2,(H,24,27)
InChIKeyNWKFNFCOAYSGTM-UHFFFAOYSA-N
XLogP1.04
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
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-piperidin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide (CID 138683668) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide is N#CC1CC(F)(F)CN1C(=O)CNC(=O)c1ccncc1C1CCNCC1.
What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide?
The InChIKey is NWKFNFCOAYSGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c19-18(20)7-13(8-21)25(11-18)16(26)10-24-17(27)14-3-6-23-9-15(14)12-1-4-22-5-2-12/h3,6,9,12-13,22H,1-2,4-5,7,10-11H2,(H,24,27).
What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide?
N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-piperidin-4-ylpyridine-4-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 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-piperidin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 138683668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).