3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

C14H14IN3O — CID 47393550

IUPAC3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCN(Cc1ccccn1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H14IN3O/c1-18(10-13-4-2-3-9-16-13)14(19)17-12-7-5-11(15)6-8-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyUJBNOYCRUMGKBR-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.35
Rot. Bonds3

About 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea

3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 47393550) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
PubChem CID47393550
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
SMILESCN(Cc1ccccn1)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H14IN3O/c1-18(10-13-4-2-3-9-16-13)14(19)17-12-7-5-11(15)6-8-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyUJBNOYCRUMGKBR-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
1-methyl-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1-(pyridin-2-ylmethyl)urea
CID 47489615
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
CID 47493098
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
1-methyl-3-phenyl-1-(pyridin-2-ylmethyl)thiourea
CID 115587724
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
N-[4-[[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]pentanamide
CID 46999034
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea (CID 47393550) is 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is CN(Cc1ccccn1)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is UJBNOYCRUMGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c1-18(10-13-4-2-3-9-16-13)14(19)17-12-7-5-11(15)6-8-12/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea?
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 367.19 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 47393550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).