N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C19H24N4O2 — CID 71982018

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCCN2c2ncccn2)cc1C
InChIInChI=1S/C19H24N4O2/c1-3-25-17-8-7-15(12-14(17)2)13-22-18(24)16-6-4-11-23(16)19-20-9-5-10-21-19/h5,7-10,12,16H,3-4,6,11,13H2,1-2H3,(H,22,24)
InChIKeyDALVLKJVZUHZBH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds6

About N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 71982018) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID71982018
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)C2CCCN2c2ncccn2)cc1C
InChIInChI=1S/C19H24N4O2/c1-3-25-17-8-7-15(12-14(17)2)13-22-18(24)16-6-4-11-23(16)19-20-9-5-10-21-19/h5,7-10,12,16H,3-4,6,11,13H2,1-2H3,(H,22,24)
InChIKeyDALVLKJVZUHZBH-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 126810226
N-[(4-ethoxy-3-methylphenyl)methyl]azetidine-3-carboxamide
CID 115158856
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 22488764
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51091928
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 136525855
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
(3R)-N-[(3,4-diethoxyphenyl)methyl]-1-methylpiperidine-3-carboxamide
CID 95396834
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3162887
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 71982018) is N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CCOc1ccc(CNC(=O)C2CCCN2c2ncccn2)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is DALVLKJVZUHZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-25-17-8-7-15(12-14(17)2)13-22-18(24)16-6-4-11-23(16)19-20-9-5-10-21-19/h5,7-10,12,16H,3-4,6,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71982018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).