N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C18H22N4O2 — CID 126810226

IUPACN-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCCN2c2ncccn2)c1
InChIInChI=1S/C18H22N4O2/c1-2-24-15-7-3-6-14(12-15)13-21-17(23)16-8-4-11-22(16)18-19-9-5-10-20-18/h3,5-7,9-10,12,16H,2,4,8,11,13H2,1H3,(H,21,23)
InChIKeyOYYUTQHHZGLESU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 126810226) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID126810226
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCOc1cccc(CNC(=O)C2CCCN2c2ncccn2)c1
InChIInChI=1S/C18H22N4O2/c1-2-24-15-7-3-6-14(12-15)13-21-17(23)16-8-4-11-22(16)18-19-9-5-10-20-18/h3,5-7,9-10,12,16H,2,4,8,11,13H2,1H3,(H,21,23)
InChIKeyOYYUTQHHZGLESU-UHFFFAOYSA-N
XLogP2.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 71982018
(2S)-1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71914135
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839339
1-(benzenesulfonyl)-N-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 70941063
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothiane-2-carboxamide
CID 75455420
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
N-[(3-ethoxyphenyl)methyl]-1-(oxan-4-yl)azetidine-3-carboxamide
CID 126826252

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 126810226) is N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CCOc1cccc(CNC(=O)C2CCCN2c2ncccn2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is OYYUTQHHZGLESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-15-7-3-6-14(12-15)13-21-17(23)16-8-4-11-22(16)18-19-9-5-10-20-18/h3,5-7,9-10,12,16H,2,4,8,11,13H2,1H3,(H,21,23).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126810226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).