1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide

C21H25ClN4O — CID 122351982

IUPAC1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H25ClN4O/c22-17-7-5-16(6-8-17)21(10-1-2-11-21)19(27)24-15-18-9-12-23-20(25-18)26-13-3-4-14-26/h5-9,12H,1-4,10-11,13-15H2,(H,24,27)
InChIKeyYEGOKWAVQYSVFI-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 122351982) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID122351982
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C21H25ClN4O/c22-17-7-5-16(6-8-17)21(10-1-2-11-21)19(27)24-15-18-9-12-23-20(25-18)26-13-3-4-14-26/h5-9,12H,1-4,10-11,13-15H2,(H,24,27)
InChIKeyYEGOKWAVQYSVFI-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.86
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
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1-(4-chlorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
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N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]adamantane-1-carboxamide
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1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
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2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
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1-(2-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967285
1-(3-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
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1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 51099905
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352101
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
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1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide (CID 122351982) is 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide is O=C(NCc1ccnc(N2CCCC2)n1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is YEGOKWAVQYSVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c22-17-7-5-16(6-8-17)21(10-1-2-11-21)19(27)24-15-18-9-12-23-20(25-18)26-13-3-4-14-26/h5-9,12H,1-4,10-11,13-15H2,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 122351982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).