(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

C18H24N4O3 — CID 26182768

IUPAC(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCCCC2)=N1
InChIInChI=1S/C18H24N4O3/c1-2-25-15-9-5-4-8-13(15)19-17(24)14-12-16(23)21-18(20-14)22-10-6-3-7-11-22/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,19,24)(H,20,21,23)/t14-/m0/s1
InChIKeyZISSHQFJJWBJGT-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.75
Rot. Bonds4

About (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 26182768) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID26182768
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCCCC2)=N1
InChIInChI=1S/C18H24N4O3/c1-2-25-15-9-5-4-8-13(15)19-17(24)14-12-16(23)21-18(20-14)22-10-6-3-7-11-22/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,19,24)(H,20,21,23)/t14-/m0/s1
InChIKeyZISSHQFJJWBJGT-AWEZNQCLSA-N
XLogP1.75
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-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-(2-ethoxyphenyl)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 135994124
(4S)-N-(2-fluorophenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41066059
(7R)-N-(2-ethoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135554889
ethyl 4-[[(4S)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carbonyl]amino]benzoate
CID 40814571
(4R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 42580735
(7R)-N-(2-ethoxyphenyl)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135783441
(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182161
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(4R)-N-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 26182157
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
(5R)-N-(2-ethoxyphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 137028130
(5S)-N-(2-ethoxyphenyl)-2-[(2R)-2-ethylpiperidin-1-yl]-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136875770

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 26182768) is (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCCCC2)=N1.
What is the InChIKey of (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is ZISSHQFJJWBJGT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-25-15-9-5-4-8-13(15)19-17(24)14-12-16(23)21-18(20-14)22-10-6-3-7-11-22/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,19,24)(H,20,21,23)/t14-/m0/s1.
What are the key properties of (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide?
(4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-ethoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 26182768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).