1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C19H21N3O2 — CID 4051992

IUPAC1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H21N3O2/c1-14-4-6-15(7-5-14)13-22-17(8-9-18(22)23)19(24)21-12-16-3-2-10-20-11-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,21,24)
InChIKeyYSZKDTKXVMUXPE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 4051992) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID4051992
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C19H21N3O2/c1-14-4-6-15(7-5-14)13-22-17(8-9-18(22)23)19(24)21-12-16-3-2-10-20-11-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,21,24)
InChIKeyYSZKDTKXVMUXPE-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 4051992) is 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is YSZKDTKXVMUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-4-6-15(7-5-14)13-22-17(8-9-18(22)23)19(24)21-12-16-3-2-10-20-11-16/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,21,24).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4051992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).