1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea

C17H21ClN4O — CID 50830215

IUPAC1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
SMILESCCN(CC)c1cc(CNC(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16-11-13(9-10-19-16)12-20-17(23)21-15-7-5-14(18)6-8-15/h5-11H,3-4,12H2,1-2H3,(H2,20,21,23)
InChIKeyUMFGWVYKXDZVBM-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.90
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea

1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea (PubChem CID 50830215) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
PubChem CID50830215
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea
SMILESCCN(CC)c1cc(CNC(=O)Nc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C17H21ClN4O/c1-3-22(4-2)16-11-13(9-10-19-16)12-20-17(23)21-15-7-5-14(18)6-8-15/h5-11H,3-4,12H2,1-2H3,(H2,20,21,23)
InChIKeyUMFGWVYKXDZVBM-UHFFFAOYSA-N
XLogP3.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-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

ethyl 2-[4-[[2-(diethylamino)-4-pyridinyl]methylcarbamoylamino]phenyl]acetate
CID 53206048
1-(4-chlorophenyl)-3-[3-[2-(diethylamino)-4-pyridinyl]phenyl]urea
CID 144796939
1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50830130
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967701
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 94179490
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900
4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
CID 86850789

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea (CID 50830215) is 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea is CCN(CC)c1cc(CNC(=O)Nc2ccc(Cl)cc2)ccn1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea?
The InChIKey is UMFGWVYKXDZVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-22(4-2)16-11-13(9-10-19-16)12-20-17(23)21-15-7-5-14(18)6-8-15/h5-11H,3-4,12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea?
1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea has a molecular weight of 332.84 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[2-(diethylamino)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 50830215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).