N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide

C24H25N3O3 — CID 55743472

IUPACN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)N2CCCC2c2ccccc2)cn1
InChIInChI=1S/C24H25N3O3/c1-17-10-12-21(22(15-17)29-2)30-23-13-11-19(16-25-23)26-24(28)27-14-6-9-20(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,20H,6,9,14H2,1-2H3,(H,26,28)
InChIKeyKTXLQZHSFWIFCQ-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.56
Rot. Bonds5

About N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide

N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide (PubChem CID 55743472) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
PubChem CID55743472
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)N2CCCC2c2ccccc2)cn1
InChIInChI=1S/C24H25N3O3/c1-17-10-12-21(22(15-17)29-2)30-23-13-11-19(16-25-23)26-24(28)27-14-6-9-20(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,20H,6,9,14H2,1-2H3,(H,26,28)
InChIKeyKTXLQZHSFWIFCQ-UHFFFAOYSA-N
XLogP5.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(4R)-3-benzoyl-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
CID 51942823
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 51116442
(2R)-N-(6-methoxy-3-pyridinyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94818646
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide (CID 55743472) is N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)N2CCCC2c2ccccc2)cn1.
What is the InChIKey of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is KTXLQZHSFWIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-10-12-21(22(15-17)29-2)30-23-13-11-19(16-25-23)26-24(28)27-14-6-9-20(27)18-7-4-3-5-8-18/h3-5,7-8,10-13,15-16,20H,6,9,14H2,1-2H3,(H,26,28).
What are the key properties of N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide?
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 55743472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).