4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide

C29H32ClFN4O — CID 91258205

IUPAC4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(NC2CCCC2)nc1C1(c2ccc(Cl)cc2)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C29H32ClFN4O/c1-19(20-8-14-23(31)15-9-20)33-27(36)25-18-32-28(34-24-6-2-3-7-24)35-26(25)29(16-4-5-17-29)21-10-12-22(30)13-11-21/h8-15,18-19,24H,2-7,16-17H2,1H3,(H,33,36)(H,32,34,35)
InChIKeyYUEAHKNYSNJDNW-UHFFFAOYSA-N
MW507.05 g/mol
LogP6.97
Rot. Bonds7

About 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide

4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 91258205) has the molecular formula C29H32ClFN4O and a molecular weight of 507.05 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID91258205
Molecular FormulaC29H32ClFN4O
Molecular Weight507.05 g/mol
Exact Mass506.22
IUPAC Name4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(NC2CCCC2)nc1C1(c2ccc(Cl)cc2)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C29H32ClFN4O/c1-19(20-8-14-23(31)15-9-20)33-27(36)25-18-32-28(34-24-6-2-3-7-24)35-26(25)29(16-4-5-17-29)21-10-12-22(30)13-11-21/h8-15,18-19,24H,2-7,16-17H2,1H3,(H,33,36)(H,32,34,35)
InChIKeyYUEAHKNYSNJDNW-UHFFFAOYSA-N
XLogP6.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.05
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 91007516
N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 91291757
4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[(2,4-dichlorophenyl)methyl]pyrimidine-5-carboxamide
CID 91199087
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-[1-(4-chlorophenyl)cyclopentyl]-2-(4-methylpiperidin-1-yl)-N-(1-naphthalen-1-ylethyl)pyrimidine-5-carboxamide
CID 91310974
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60647303
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 41200264
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide (CID 91258205) is 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide is CC(NC(=O)c1cnc(NC2CCCC2)nc1C1(c2ccc(Cl)cc2)CCCC1)c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is YUEAHKNYSNJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClFN4O/c1-19(20-8-14-23(31)15-9-20)33-27(36)25-18-32-28(34-24-6-2-3-7-24)35-26(25)29(16-4-5-17-29)21-10-12-22(30)13-11-21/h8-15,18-19,24H,2-7,16-17H2,1H3,(H,33,36)(H,32,34,35).
What are the key properties of 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide?
4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 507.05 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91258205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).