N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide

C22H23N5O2 — CID 135992391

IUPACN-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide
SMILESCCOc1ccccc1N/C(=N\c1nc(C)cc(C)n1)NC(=O)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-4-29-19-13-9-8-12-18(19)25-22(26-20(28)17-10-6-5-7-11-17)27-21-23-15(2)14-16(3)24-21/h5-14H,4H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyFVGQHROHZWGMSC-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.02
Rot. Bonds5

About N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide

N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide (PubChem CID 135992391) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide
PubChem CID135992391
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide
SMILESCCOc1ccccc1N/C(=N\c1nc(C)cc(C)n1)NC(=O)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-4-29-19-13-9-8-12-18(19)25-22(26-20(28)17-10-6-5-7-11-17)27-21-23-15(2)14-16(3)24-21/h5-14H,4H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyFVGQHROHZWGMSC-UHFFFAOYSA-N
XLogP4.02
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-N-(3,4-dichlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]benzamide
CID 135516412
[acetamido-(2-ethoxyanilino)methylidene]-(4,6-dimethylpyrimidin-2-yl)azanium
CID 3256160
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-propoxyphenyl)guanidine
CID 2268324
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
1-(4,6-dimethylpyrimidin-2-yl)-3-(2-ethoxyphenyl)thiourea
CID 19678089
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
3-N-(2-ethoxyphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101457
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
5-amino-2,3-dichloro-N-(2-ethoxyphenyl)benzamide
CID 107183316

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide?
The IUPAC name of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide (CID 135992391) is N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide is CCOc1ccccc1N/C(=N\c1nc(C)cc(C)n1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide?
The InChIKey is FVGQHROHZWGMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-29-19-13-9-8-12-18(19)25-22(26-20(28)17-10-6-5-7-11-17)27-21-23-15(2)14-16(3)24-21/h5-14H,4H2,1-3H3,(H2,23,24,25,26,27,28).
What are the key properties of N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide?
N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-ethoxyphenyl)carbamimidoyl]benzamide is sourced from PubChem (CID 135992391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).