1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea

C20H19N3O2 — CID 3912902

IUPAC1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-19-5-3-2-4-18(19)23-20(24)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24)
InChIKeyXHKIIDLZLIYVCN-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea

1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea (PubChem CID 3912902) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
PubChem CID3912902
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-19-5-3-2-4-18(19)23-20(24)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24)
InChIKeyXHKIIDLZLIYVCN-UHFFFAOYSA-N
XLogP4.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Lexibulin
CID 11351021
1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
1-(2-Methoxyphenyl)-3-pyridin-4-ylurea
CID 677339
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylpiperidine-1-carboxamide
CID 164575485
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
N-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 155513310

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea (CID 3912902) is 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea is COc1ccccc1NC(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
The InChIKey is XHKIIDLZLIYVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-19-5-3-2-4-18(19)23-20(24)22-17-8-6-15(7-9-17)14-16-10-12-21-13-11-16/h2-13H,14H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea?
1-(2-methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea has a molecular weight of 333.39 g/mol, XLogP of 4.32, 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-[4-(pyridin-4-ylmethyl)phenyl]urea is sourced from PubChem (CID 3912902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).