1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

C24H26FN5O — CID 134800310

IUPAC1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN1c1nccc(Nc2ccccc2F)n1
InChIInChI=1S/C24H26FN5O/c25-19-11-4-5-12-20(19)28-22-14-16-27-24(29-22)30-17-7-13-21(30)23(31)26-15-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-12,14,16,21H,6-7,10,13,15,17H2,(H,26,31)(H,27,28,29)
InChIKeyNWXDSKIVPAZYMO-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.08
Rot. Bonds8

About 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (PubChem CID 134800310) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
PubChem CID134800310
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCN1c1nccc(Nc2ccccc2F)n1
InChIInChI=1S/C24H26FN5O/c25-19-11-4-5-12-20(19)28-22-14-16-27-24(29-22)30-17-7-13-21(30)23(31)26-15-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-12,14,16,21H,6-7,10,13,15,17H2,(H,26,31)(H,27,28,29)
InChIKeyNWXDSKIVPAZYMO-UHFFFAOYSA-N
XLogP4.08
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-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

Pf-03814735
CID 51346455
XL019
CID 57990869
Agi-5198
CID 56645356
C-1368
CID 9549303
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
2-cyano-4-(cyclohexylamino)-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108889
4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
Pyrido[2,3-d]pyrimidin-7-one 19
CID 5330346
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (CID 134800310) is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCc1ccccc1)C1CCCN1c1nccc(Nc2ccccc2F)n1.
What is the InChIKey of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is NWXDSKIVPAZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c25-19-11-4-5-12-20(19)28-22-14-16-27-24(29-22)30-17-7-13-21(30)23(31)26-15-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-12,14,16,21H,6-7,10,13,15,17H2,(H,26,31)(H,27,28,29).
What are the key properties of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134800310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).