1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea

C17H35N5O2 — CID 143767682

IUPAC1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
SMILESCC.CC.CCN(CC)C(=O)NC.CNC(=O)Nc1cccnc1
InChIInChI=1S/C7H9N3O.C6H14N2O.2C2H6/c1-8-7(11)10-6-3-2-4-9-5-6;1-4-8(5-2)6(9)7-3;2*1-2/h2-5H,1H3,(H2,8,10,11);4-5H2,1-3H3,(H,7,9);2*1-2H3
InChIKeyCCWISQPJOGNPMH-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.55
Rot. Bonds3

About 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea

1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea (PubChem CID 143767682) has the molecular formula C17H35N5O2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
PubChem CID143767682
Molecular FormulaC17H35N5O2
Molecular Weight341.50 g/mol
Exact Mass341.28
IUPAC Name1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
SMILESCC.CC.CCN(CC)C(=O)NC.CNC(=O)Nc1cccnc1
InChIInChI=1S/C7H9N3O.C6H14N2O.2C2H6/c1-8-7(11)10-6-3-2-4-9-5-6;1-4-8(5-2)6(9)7-3;2*1-2/h2-5H,1H3,(H2,8,10,11);4-5H2,1-3H3,(H,7,9);2*1-2H3
InChIKeyCCWISQPJOGNPMH-UHFFFAOYSA-N
XLogP3.55
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea 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

3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
1,1-diethyl-3-pyridin-3-ylthiourea
CID 60640914
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
N-[2-(diethylamino)ethyl]-4-(pyridin-3-ylcarbamoylamino)benzamide
CID 142899815
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
N,N-diethyl-3-(methylcarbamoylamino)benzamide
CID 47173763

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea?
The IUPAC name of 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea (CID 143767682) is 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea?
The canonical SMILES for 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea is CC.CC.CCN(CC)C(=O)NC.CNC(=O)Nc1cccnc1.
What is the InChIKey of 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea?
The InChIKey is CCWISQPJOGNPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C6H14N2O.2C2H6/c1-8-7(11)10-6-3-2-4-9-5-6;1-4-8(5-2)6(9)7-3;2*1-2/h2-5H,1H3,(H2,8,10,11);4-5H2,1-3H3,(H,7,9);2*1-2H3.
What are the key properties of 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea?
1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea has a molecular weight of 341.50 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea is sourced from PubChem (CID 143767682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).