N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide

C18H22N4O3 — CID 133307077

IUPACN-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccnc(N2CCCC2C(=O)Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C18H22N4O3/c1-12-6-7-15(24-2)13(11-12)20-17(23)14-5-4-10-22(14)18-19-9-8-16(21-18)25-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,23)
InChIKeyXVKHIWRDPRAWHZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.41
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 133307077) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID133307077
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccnc(N2CCCC2C(=O)Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C18H22N4O3/c1-12-6-7-15(24-2)13(11-12)20-17(23)14-5-4-10-22(14)18-19-9-8-16(21-18)25-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,23)
InChIKeyXVKHIWRDPRAWHZ-UHFFFAOYSA-N
XLogP2.41
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 154753041
N-(2-methoxy-5-methylphenyl)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 133307081
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
N,N-diethyl-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133290040
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42090206
1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42935531
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
(2S)-1-[4-(2-methoxyanilino)pyrimidin-2-yl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 134797747
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 133307077) is N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide is COc1ccnc(N2CCCC2C(=O)Nc2cc(C)ccc2OC)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is XVKHIWRDPRAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-6-7-15(24-2)13(11-12)20-17(23)14-5-4-10-22(14)18-19-9-8-16(21-18)25-3/h6-9,11,14H,4-5,10H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 133307077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).