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

C19H23FN4O — CID 42673821

IUPACN-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C19H23FN4O/c1-3-13(2)22-19(25)16-12-21-17(14-6-8-15(20)9-7-14)23-18(16)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)
InChIKeySVWQFHOVSRRZQS-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.41
Rot. Bonds5

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

N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 42673821) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID42673821
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C19H23FN4O/c1-3-13(2)22-19(25)16-12-21-17(14-6-8-15(20)9-7-14)23-18(16)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)
InChIKeySVWQFHOVSRRZQS-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 42673821) is N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1.
What is the InChIKey of N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is SVWQFHOVSRRZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-3-13(2)22-19(25)16-12-21-17(14-6-8-15(20)9-7-14)23-18(16)24-10-4-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42673821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).