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

C21H20FN5O — CID 42673825

IUPAC2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C21H20FN5O/c22-16-8-6-15(7-9-16)19-24-14-18(20(26-19)27-11-3-4-12-27)21(28)25-13-17-5-1-2-10-23-17/h1-2,5-10,14H,3-4,11-13H2,(H,25,28)
InChIKeyAPMMRCCYGIRMEZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.21
Rot. Bonds5

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

2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 42673825) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID42673825
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1
InChIInChI=1S/C21H20FN5O/c22-16-8-6-15(7-9-16)19-24-14-18(20(26-19)27-11-3-4-12-27)21(28)25-13-17-5-1-2-10-23-17/h1-2,5-10,14H,3-4,11-13H2,(H,25,28)
InChIKeyAPMMRCCYGIRMEZ-UHFFFAOYSA-N
XLogP3.21
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-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

2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 42669991
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42673835
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
6-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 171132589
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 42674257
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
[2-(4-fluorophenyl)-4-pyrrolidin-1-ylpyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42822398
2-(azepan-1-yl)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942887
6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 155256619

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 42673825) is 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide is O=C(NCc1ccccn1)c1cnc(-c2ccc(F)cc2)nc1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is APMMRCCYGIRMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-16-8-6-15(7-9-16)19-24-14-18(20(26-19)27-11-3-4-12-27)21(28)25-13-17-5-1-2-10-23-17/h1-2,5-10,14H,3-4,11-13H2,(H,25,28).
What are the key properties of 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide?
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 42673825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).