1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

C24H25N3O2 — CID 45248164

IUPAC1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)cc1
InChIInChI=1S/C24H25N3O2/c1-18-10-12-19(13-11-18)17-27-15-5-8-22(27)24(28)26-21-7-2-3-9-23(21)29-20-6-4-14-25-16-20/h2-4,6-7,9-14,16,22H,5,8,15,17H2,1H3,(H,26,28)
InChIKeyCYCZYDSXTWKZGE-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.79
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide

1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 45248164) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
PubChem CID45248164
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)cc1
InChIInChI=1S/C24H25N3O2/c1-18-10-12-19(13-11-18)17-27-15-5-8-22(27)24(28)26-21-7-2-3-9-23(21)29-20-6-4-14-25-16-20/h2-4,6-7,9-14,16,22H,5,8,15,17H2,1H3,(H,26,28)
InChIKeyCYCZYDSXTWKZGE-UHFFFAOYSA-N
XLogP4.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide (CID 45248164) is 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is Cc1ccc(CN2CCCC2C(=O)Nc2ccccc2Oc2cccnc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is CYCZYDSXTWKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-10-12-19(13-11-18)17-27-15-5-8-22(27)24(28)26-21-7-2-3-9-23(21)29-20-6-4-14-25-16-20/h2-4,6-7,9-14,16,22H,5,8,15,17H2,1H3,(H,26,28).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide?
1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45248164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).