(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide

C21H27N5O2 — CID 134796519

IUPAC(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)NC2CCCC2)n1
InChIInChI=1S/C21H27N5O2/c1-28-18-11-5-4-9-16(18)24-19-12-13-22-21(25-19)26-14-6-10-17(26)20(27)23-15-7-2-3-8-15/h4-5,9,11-13,15,17H,2-3,6-8,10,14H2,1H3,(H,23,27)(H,22,24,25)/t17-/m0/s1
InChIKeyWRKWDHPBHCZMGG-KRWDZBQOSA-N
MW381.48 g/mol
LogP3.26
Rot. Bonds6

About (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 134796519) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID134796519
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)NC2CCCC2)n1
InChIInChI=1S/C21H27N5O2/c1-28-18-11-5-4-9-16(18)24-19-12-13-22-21(25-19)26-14-6-10-17(26)20(27)23-15-7-2-3-8-15/h4-5,9,11-13,15,17H,2-3,6-8,10,14H2,1H3,(H,23,27)(H,22,24,25)/t17-/m0/s1
InChIKeyWRKWDHPBHCZMGG-KRWDZBQOSA-N
XLogP3.26
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134798017
(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134797747
1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134795817
[(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 134799523
(2S)-1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-(cycloheptylmethyl)pyrrolidine-2-carboxamide
CID 134800650
N-(cyclopropylmethyl)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]piperidine-4-carboxamide
CID 134798498
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468739
[4-[4-(2-methoxyanilino)pyrimidin-2-yl]piperazin-1-yl]-phenylmethanone
CID 134799674
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133307077
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
N-[(3-chlorophenyl)methyl]-1-[4-(2-fluoroanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134799251

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 134796519) is (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide is COc1ccccc1Nc1ccnc(N2CCC[C@H]2C(=O)NC2CCCC2)n1.
What is the InChIKey of (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is WRKWDHPBHCZMGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-18-11-5-4-9-16(18)24-19-12-13-22-21(25-19)26-14-6-10-17(26)20(27)23-15-7-2-3-8-15/h4-5,9,11-13,15,17H,2-3,6-8,10,14H2,1H3,(H,23,27)(H,22,24,25)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134796519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).