1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea

C12H19N3O — CID 115583859

IUPAC1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C12H19N3O/c1-4-15(5-2)12(16)14-9-11-7-6-10(3)13-8-11/h6-8H,4-5,9H2,1-3H3,(H,14,16)
InChIKeySPBZSESPTOOXNB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds4

About 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea

1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea (PubChem CID 115583859) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
PubChem CID115583859
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCCN(CC)C(=O)NCc1ccc(C)nc1
InChIInChI=1S/C12H19N3O/c1-4-15(5-2)12(16)14-9-11-7-6-10(3)13-8-11/h6-8H,4-5,9H2,1-3H3,(H,14,16)
InChIKeySPBZSESPTOOXNB-UHFFFAOYSA-N
XLogP1.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]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-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 95134133
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
2-[(6-methyl-3-pyridinyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62996719
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
1-amino-3-[(6-methyl-3-pyridinyl)methyl]thiourea
CID 62997191
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
5-[[[2-ethoxyethyl(ethyl)carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81090834
N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 175935774

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea (CID 115583859) is 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea is CCN(CC)C(=O)NCc1ccc(C)nc1.
What is the InChIKey of 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
The InChIKey is SPBZSESPTOOXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15(5-2)12(16)14-9-11-7-6-10(3)13-8-11/h6-8H,4-5,9H2,1-3H3,(H,14,16).
What are the key properties of 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea has a molecular weight of 221.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 115583859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).