1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea

C15H17N3O2 — CID 974359

IUPAC1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
SMILESCOc1ccccc1NC(=O)NCCc1ccncc1
InChIInChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-13(14)18-15(19)17-11-8-12-6-9-16-10-7-12/h2-7,9-10H,8,11H2,1H3,(H2,17,18,19)
InChIKeyAPLZWZJKOHEHOC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea

1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea (PubChem CID 974359) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
PubChem CID974359
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
SMILESCOc1ccccc1NC(=O)NCCc1ccncc1
InChIInChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-13(14)18-15(19)17-11-8-12-6-9-16-10-7-12/h2-7,9-10H,8,11H2,1H3,(H2,17,18,19)
InChIKeyAPLZWZJKOHEHOC-UHFFFAOYSA-N
XLogP2.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 42111951
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
1-[4-(2-amino-4-pyridinyl)butyl]-3-(2-methoxyphenyl)urea
CID 136562007
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(2-methoxyphenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 47087362
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
1-(2-azidoethyl)-3-(2-methoxyphenyl)urea
CID 61342696
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea (CID 974359) is 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea is COc1ccccc1NC(=O)NCCc1ccncc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is APLZWZJKOHEHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-14-5-3-2-4-13(14)18-15(19)17-11-8-12-6-9-16-10-7-12/h2-7,9-10H,8,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea?
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 974359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).