N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C17H19FN4O — CID 109297501

IUPACN-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H19FN4O/c18-14-5-3-13(4-6-14)7-9-19-16(23)15-8-10-20-17(21-15)22-11-1-2-12-22/h3-6,8,10H,1-2,7,9,11-12H2,(H,19,23)
InChIKeyACJFLKSASKXSHX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.19
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109297501) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109297501
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H19FN4O/c18-14-5-3-13(4-6-14)7-9-19-16(23)15-8-10-20-17(21-15)22-11-1-2-12-22/h3-6,8,10H,1-2,7,9,11-12H2,(H,19,23)
InChIKeyACJFLKSASKXSHX-UHFFFAOYSA-N
XLogP2.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-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-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298268
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109303008
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298973
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080350
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109297501) is N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccnc(N2CCCC2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is ACJFLKSASKXSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-5-3-13(4-6-14)7-9-19-16(23)15-8-10-20-17(21-15)22-11-1-2-12-22/h3-6,8,10H,1-2,7,9,11-12H2,(H,19,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).