N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C15H14F2N4O — CID 109249520

IUPACN-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C15H14F2N4O/c16-11-4-3-5-12(17)13(11)20-14(22)10-8-18-15(19-9-10)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,20,22)
InChIKeyXKNDCVHKXMEVTK-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.61
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109249520) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID109249520
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC NameN-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C15H14F2N4O/c16-11-4-3-5-12(17)13(11)20-14(22)10-8-18-15(19-9-10)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,20,22)
InChIKeyXKNDCVHKXMEVTK-UHFFFAOYSA-N
XLogP2.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249509
N-[2,6-di(propan-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249498
N-[2,6-di(propan-2-yl)phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250248
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 109249520) is N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is O=C(Nc1c(F)cccc1F)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is XKNDCVHKXMEVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-11-4-3-5-12(17)13(11)20-14(22)10-8-18-15(19-9-10)21-6-1-2-7-21/h3-5,8-9H,1-2,6-7H2,(H,20,22).
What are the key properties of N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).