1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea

C18H21N3O3 — CID 51080116

IUPAC1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
SMILESCOc1cc(NC(=O)N(Cc2ccncc2)C2CC2)cc(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-16-9-14(10-17(11-16)24-2)20-18(22)21(15-3-4-15)12-13-5-7-19-8-6-13/h5-11,15H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyMJWOQHBZYDKJKG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds6

About 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea

1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 51080116) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID51080116
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
SMILESCOc1cc(NC(=O)N(Cc2ccncc2)C2CC2)cc(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-16-9-14(10-17(11-16)24-2)20-18(22)21(15-3-4-15)12-13-5-7-19-8-6-13/h5-11,15H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyMJWOQHBZYDKJKG-UHFFFAOYSA-N
XLogP3.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)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-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080120
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
CID 24535898
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 86842488
1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
1-cyclohexyl-3-(3,5-dimethoxyphenyl)-1-prop-2-enylurea
CID 3597378
1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 20908059
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
2-[cyclopropyl-[(3,5-dimethoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3620471

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea (CID 51080116) is 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea is COc1cc(NC(=O)N(Cc2ccncc2)C2CC2)cc(OC)c1.
What is the InChIKey of 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is MJWOQHBZYDKJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-16-9-14(10-17(11-16)24-2)20-18(22)21(15-3-4-15)12-13-5-7-19-8-6-13/h5-11,15H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea?
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 327.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 51080116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).