1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea

C23H28N6O — CID 70666374

IUPAC1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2cncc(NC(CC)c3cnccc3C)n2)cc1C
InChIInChI=1S/C23H28N6O/c1-5-19(18-12-24-10-9-15(18)3)27-22-14-25-13-21(28-22)17-7-8-20(16(4)11-17)29-23(30)26-6-2/h7-14,19H,5-6H2,1-4H3,(H,27,28)(H2,26,29,30)
InChIKeyKGRKVABRLKHECN-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.86
Rot. Bonds7

About 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea

1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea (PubChem CID 70666374) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea
PubChem CID70666374
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea
SMILESCCNC(=O)Nc1ccc(-c2cncc(NC(CC)c3cnccc3C)n2)cc1C
InChIInChI=1S/C23H28N6O/c1-5-19(18-12-24-10-9-15(18)3)27-22-14-25-13-21(28-22)17-7-8-20(16(4)11-17)29-23(30)26-6-2/h7-14,19H,5-6H2,1-4H3,(H,27,28)(H2,26,29,30)
InChIKeyKGRKVABRLKHECN-UHFFFAOYSA-N
XLogP4.86
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea 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-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylpropyl]amino]pyrazin-2-yl]phenyl]urea;methane
CID 159545880
1-ethyl-3-[2-ethyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea;methane
CID 159365500
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522
1-[3-(diethylamino)propyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11352655
N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
CID 71870372
N-(5-aminopentyl)-2-methyl-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]benzamide
CID 11316795
1-[4-(aminomethyl)-2-methylphenyl]-3-ethylurea
CID 82507372
1-ethyl-3-[2-methoxy-4-[4-methyl-6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea;molecular hydrogen
CID 163291094
1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea
CID 75449082
5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one
CID 90277603
1-ethyl-3-[2-methoxy-4-[6-[(4R)-4-phenylheptyl]pyrazin-2-yl]phenyl]urea
CID 143056501
1-[3-(2,3-dihydro-1H-indol-5-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 143504000

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea?
The IUPAC name of 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea (CID 70666374) is 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea is CCNC(=O)Nc1ccc(-c2cncc(NC(CC)c3cnccc3C)n2)cc1C.
What is the InChIKey of 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea?
The InChIKey is KGRKVABRLKHECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-5-19(18-12-24-10-9-15(18)3)27-22-14-25-13-21(28-22)17-7-8-20(16(4)11-17)29-23(30)26-6-2/h7-14,19H,5-6H2,1-4H3,(H,27,28)(H2,26,29,30).
What are the key properties of 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea?
1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea has a molecular weight of 404.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-methyl-4-[6-[1-(4-methyl-3-pyridinyl)propylamino]pyrazin-2-yl]phenyl]urea is sourced from PubChem (CID 70666374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).