Skip to content

1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea

C14H14ClN3O — CID 108897307

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)9-17-14(19)18-13-8-12(15)6-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeySSPBFWAKIOFFQD-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.37
Rot. Bonds3

About 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea

1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea (PubChem CID 108897307) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
PubChem CID108897307
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)9-17-14(19)18-13-8-12(15)6-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeySSPBFWAKIOFFQD-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea (CID 108897307) is 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
The InChIKey is SSPBFWAKIOFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-4-2-3-5-11(10)9-17-14(19)18-13-8-12(15)6-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea?
1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea has a molecular weight of 275.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108897307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.