1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea

C14H14ClN3O2 — CID 970515

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C14H14ClN3O2/c1-20-13-5-4-11(15)7-12(13)18-14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyKFCOEELLNXDBLO-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.07
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 970515) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID970515
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C14H14ClN3O2/c1-20-13-5-4-11(15)7-12(13)18-14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyKFCOEELLNXDBLO-UHFFFAOYSA-N
XLogP3.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyphenyl)-3-pyridin-4-ylurea
CID 677339
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(5-Chloro-2-methoxyphenyl)-3-pyrazin-2-ylurea
CID 3427828
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-(5-Chloro-2-methoxyphenyl)-3-(5-chloropyridin-2-yl)thiourea
CID 970958
1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 971862
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-3-methyl-pyridinium
CID 24761067
1-(2,4-Dimethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 24818647
1-(2-Methoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 699991
1-(2-Methoxyphenyl)-3-(3-methylpyridin-2-yl)urea
CID 651733
N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 767774
N-(5-chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 2741694

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea (CID 970515) is 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea is COc1ccc(Cl)cc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is KFCOEELLNXDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-13-5-4-11(15)7-12(13)18-14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 291.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 970515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).