1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea

C23H26N4OS — CID 44577464

IUPAC1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea
SMILESCCc1c(C)[nH]c(=O)c(NNC(=S)Nc2ccccc2)c1Cc1cccc(C)c1
InChIInChI=1S/C23H26N4OS/c1-4-19-16(3)24-22(28)21(20(19)14-17-10-8-9-15(2)13-17)26-27-23(29)25-18-11-6-5-7-12-18/h5-13,26H,4,14H2,1-3H3,(H,24,28)(H2,25,27,29)
InChIKeyAVVZHPCUIZFFOM-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.46
Rot. Bonds6

About 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea

1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea (PubChem CID 44577464) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea
PubChem CID44577464
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea
SMILESCCc1c(C)[nH]c(=O)c(NNC(=S)Nc2ccccc2)c1Cc1cccc(C)c1
InChIInChI=1S/C23H26N4OS/c1-4-19-16(3)24-22(28)21(20(19)14-17-10-8-9-15(2)13-17)26-27-23(29)25-18-11-6-5-7-12-18/h5-13,26H,4,14H2,1-3H3,(H,24,28)(H2,25,27,29)
InChIKeyAVVZHPCUIZFFOM-UHFFFAOYSA-N
XLogP4.46
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea 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

1-[[2-(2,5-Dimethylanilino)acetyl]amino]-3-phenylthiourea
CID 3131946
4-[2-(anilinocarbonothioyl)hydrazino]-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 3140676
N-phenyl-2-(4-toluidinocarbothioyl)hydrazinecarboxamide
CID 668308
1-[[2-(3-Methylanilino)-1-oxoethyl]amino]-3-phenylthiourea
CID 788634
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(2,6-dimethylphenyl)thiourea
CID 12005094
[5,6-bis(2-methylanilino)-2-oxo-1H-pyridin-3-yl]iminothiourea
CID 136498951
[5,6-bis(3-methylanilino)-2-oxo-1H-pyridin-3-yl]iminothiourea
CID 136498952
1-[5-ethyl-6-methyl-4-(m-tolylmethyl)-2-oxo-1H-pyridin-3-yl]-3-phenyl-thiourea
CID 6320557
[5,6-bis(4-methylanilino)-2-oxo-1H-pyridin-3-yl]iminothiourea
CID 136498953
N-Phenyl-2-(3-phenylpropanoyl)hydrazinecarbothioamide
CID 720868
N-(2,4-dimethylphenyl)-4-{2-[(4-fluoroanilino)carbothioyl]hydrazino}-4-oxobutanamide
CID 1632366
1-[[2-(4-Methylanilino)acetyl]amino]-3-phenyl-thiourea
CID 11232271

Frequently Asked Questions

What is the IUPAC name of 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea?
The IUPAC name of 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea (CID 44577464) is 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea.
What is the SMILES notation for 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea?
The canonical SMILES for 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea is CCc1c(C)[nH]c(=O)c(NNC(=S)Nc2ccccc2)c1Cc1cccc(C)c1.
What is the InChIKey of 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea?
The InChIKey is AVVZHPCUIZFFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-4-19-16(3)24-22(28)21(20(19)14-17-10-8-9-15(2)13-17)26-27-23(29)25-18-11-6-5-7-12-18/h5-13,26H,4,14H2,1-3H3,(H,24,28)(H2,25,27,29).
What are the key properties of 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea?
1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea has a molecular weight of 406.56 g/mol, XLogP of 4.46, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-2-oxo-1H-pyridin-3-yl]amino]-3-phenylthiourea is sourced from PubChem (CID 44577464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).