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

C30H34ClFN4O — CID 91007516

IUPAC4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC(C)c3ccc(F)cc3)c(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1
InChIInChI=1S/C30H34ClFN4O/c1-20-13-17-36(18-14-20)29-33-19-26(28(37)34-21(2)22-5-11-25(32)12-6-22)27(35-29)30(15-3-4-16-30)23-7-9-24(31)10-8-23/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,34,37)
InChIKeyPENWRULBCBIBMJ-UHFFFAOYSA-N
MW521.08 g/mol
LogP6.86
Rot. Bonds6

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

4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 91007516) has the molecular formula C30H34ClFN4O and a molecular weight of 521.08 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID91007516
Molecular FormulaC30H34ClFN4O
Molecular Weight521.08 g/mol
Exact Mass520.24
IUPAC Name4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NC(C)c3ccc(F)cc3)c(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1
InChIInChI=1S/C30H34ClFN4O/c1-20-13-17-36(18-14-20)29-33-19-26(28(37)34-21(2)22-5-11-25(32)12-6-22)27(35-29)30(15-3-4-16-30)23-7-9-24(31)10-8-23/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,34,37)
InChIKeyPENWRULBCBIBMJ-UHFFFAOYSA-N
XLogP6.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.08
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-chlorophenyl)cyclopentyl]-2-(4-methylpiperidin-1-yl)-N-(1-naphthalen-1-ylethyl)pyrimidine-5-carboxamide
CID 91310974
4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 91596372
4-[1-(4-chlorophenyl)cyclopentyl]-2-(cyclopentylamino)-N-[1-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 91258205
2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 23548275
N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 90910419
N-[(2,4-difluorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 90887212
4-methyl-2-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 66505240
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083
N-benzyl-N-ethyl-4-[1-(4-fluorophenyl)cyclopentyl]-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 160560961
3,4-dihydro-1H-isoquinolin-2-yl-[2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidin-5-yl]methanone
CID 11627131
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11518649
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-4-(1-phenylcyclopropyl)pyrimidine-5-carboxamide
CID 11627381

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 91007516) is 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CC1CCN(c2ncc(C(=O)NC(C)c3ccc(F)cc3)c(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is PENWRULBCBIBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClFN4O/c1-20-13-17-36(18-14-20)29-33-19-26(28(37)34-21(2)22-5-11-25(32)12-6-22)27(35-29)30(15-3-4-16-30)23-7-9-24(31)10-8-23/h5-12,19-21H,3-4,13-18H2,1-2H3,(H,34,37).
What are the key properties of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 521.08 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclopentyl]-N-[1-(4-fluorophenyl)ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).