3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea

C17H18ClN3O — CID 24535898

IUPAC3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22)
InChIKeyNKTSVDQAZDUKLX-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.24
Rot. Bonds4

About 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea

3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 24535898) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
PubChem CID24535898
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
SMILESCc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22)
InChIKeyNKTSVDQAZDUKLX-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080120
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
4-[[(4-tert-butylcyclohexyl)-[(3-chloro-4-methylphenyl)carbamoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23549808
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[(3-chloro-4-methylphenyl)carbamoyl-cyclopropylamino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1200654
3-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113115435
1-cyclopropyl-3-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-(pyridin-4-ylmethyl)urea
CID 118792543
1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
1-[(4-chlorophenyl)methyl]-1-cyclopropyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 47049679
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(3-chloro-4-methylphenyl)-1-methylurea
CID 61231067

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea (CID 24535898) is 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea is Cc1ccc(NC(=O)N(Cc2ccncc2)C2CC2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is NKTSVDQAZDUKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22).
What are the key properties of 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea?
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 315.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 24535898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).