1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide

C22H27ClN4O — CID 122356582

IUPAC1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H27ClN4O/c1-15-19(16(2)25-21(24-15)27-13-5-6-14-27)26-20(28)22(11-3-4-12-22)17-7-9-18(23)10-8-17/h7-10H,3-6,11-14H2,1-2H3,(H,26,28)
InChIKeyQGCNEAHGZQTJMN-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.80
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide (PubChem CID 122356582) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
PubChem CID122356582
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H27ClN4O/c1-15-19(16(2)25-21(24-15)27-13-5-6-14-27)26-20(28)22(11-3-4-12-22)17-7-9-18(23)10-8-17/h7-10H,3-6,11-14H2,1-2H3,(H,26,28)
InChIKeyQGCNEAHGZQTJMN-UHFFFAOYSA-N
XLogP4.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122352808
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122356805
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
1-(4-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 2521715
1-(4-chlorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 43546753
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 71807259
[1-(4-chlorophenyl)cyclopentyl]-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346119
1-(2-chloro-4-methylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 122356509
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
1-(4-chlorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 122294119
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide (CID 122356582) is 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is QGCNEAHGZQTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-15-19(16(2)25-21(24-15)27-13-5-6-14-27)26-20(28)22(11-3-4-12-22)17-7-9-18(23)10-8-17/h7-10H,3-6,11-14H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 122356582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).