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

C19H23N5O2 — CID 134798017

IUPACN-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCCC2C(=O)NC2CC2)n1
InChIInChI=1S/C19H23N5O2/c1-26-16-7-3-2-5-14(16)22-17-10-11-20-19(23-17)24-12-4-6-15(24)18(25)21-13-8-9-13/h2-3,5,7,10-11,13,15H,4,6,8-9,12H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyDAEQOMPMVIMFCK-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.48
Rot. Bonds6

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

N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 134798017) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID134798017
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1Nc1ccnc(N2CCCC2C(=O)NC2CC2)n1
InChIInChI=1S/C19H23N5O2/c1-26-16-7-3-2-5-14(16)22-17-10-11-20-19(23-17)24-12-4-6-15(24)18(25)21-13-8-9-13/h2-3,5,7,10-11,13,15H,4,6,8-9,12H2,1H3,(H,21,25)(H,20,22,23)
InChIKeyDAEQOMPMVIMFCK-UHFFFAOYSA-N
XLogP2.48
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-cyclopentyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134796519
(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
N-cyclopropyl-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91662065
[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
(2S)-1-N-cyclohexyl-2-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468739
N-[(3-chlorophenyl)methyl]-1-[4-(2-fluoroanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide
CID 134799251
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 134798017) is N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide is COc1ccccc1Nc1ccnc(N2CCCC2C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is DAEQOMPMVIMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-16-7-3-2-5-14(16)22-17-10-11-20-19(23-17)24-12-4-6-15(24)18(25)21-13-8-9-13/h2-3,5,7,10-11,13,15H,4,6,8-9,12H2,1H3,(H,21,25)(H,20,22,23).
What are the key properties of N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-(2-methoxyanilino)pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134798017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).