1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea

C17H22N4O2 — CID 99840101

IUPAC1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1cccc(CNC(=O)Nc2ccc(N(C)C)cn2)c1
InChIInChI=1S/C17H22N4O2/c1-21(2)15-7-8-16(18-11-15)20-17(22)19-10-13-5-4-6-14(9-13)12-23-3/h4-9,11H,10,12H2,1-3H3,(H2,18,19,20,22)
InChIKeyCQLWWNGWDIDIAJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.62
Rot. Bonds6

About 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea

1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea (PubChem CID 99840101) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
PubChem CID99840101
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1cccc(CNC(=O)Nc2ccc(N(C)C)cn2)c1
InChIInChI=1S/C17H22N4O2/c1-21(2)15-7-8-16(18-11-15)20-17(22)19-10-13-5-4-6-14(9-13)12-23-3/h4-9,11H,10,12H2,1-3H3,(H2,18,19,20,22)
InChIKeyCQLWWNGWDIDIAJ-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]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-[5-(dimethylamino)-2-pyridinyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 75477406
1-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 55749404
methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate
CID 99795846
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 86788660
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87014098
5,6-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 60789641
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea (CID 99840101) is 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea is COCc1cccc(CNC(=O)Nc2ccc(N(C)C)cn2)c1.
What is the InChIKey of 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is CQLWWNGWDIDIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)15-7-8-16(18-11-15)20-17(22)19-10-13-5-4-6-14(9-13)12-23-3/h4-9,11H,10,12H2,1-3H3,(H2,18,19,20,22).
What are the key properties of 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea?
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 99840101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).