2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide

C19H23FN4O — CID 42673820

IUPAC2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C19H23FN4O/c1-13(2)11-22-19(25)16-12-21-17(14-5-7-15(20)8-6-14)23-18(16)24-9-3-4-10-24/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,25)
InChIKeyNKJZFCNMGBNAEV-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.27
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide

2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 42673820) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID42673820
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C19H23FN4O/c1-13(2)11-22-19(25)16-12-21-17(14-5-7-15(20)8-6-14)23-18(16)24-9-3-4-10-24/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,25)
InChIKeyNKJZFCNMGBNAEV-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 42673820) is 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is NKJZFCNMGBNAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13(2)11-22-19(25)16-12-21-17(14-5-7-15(20)8-6-14)23-18(16)24-9-3-4-10-24/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42673820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).