1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea

C15H17N3O2 — CID 47139416

IUPAC1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11(12-6-4-3-5-7-12)17-15(19)18-13-8-9-14(20-2)16-10-13/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyHQZATPKJSIHFFZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea

1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea (PubChem CID 47139416) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
PubChem CID47139416
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
SMILESCOc1ccc(NC(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C15H17N3O2/c1-11(12-6-4-3-5-7-12)17-15(19)18-13-8-9-14(20-2)16-10-13/h3-11H,1-2H3,(H2,17,18,19)
InChIKeyHQZATPKJSIHFFZ-UHFFFAOYSA-N
XLogP2.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
1-(3,5-dimethoxyphenyl)-3-(1-phenylethyl)urea
CID 108869391
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806
1-(6-methoxy-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]urea
CID 97443703
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
2-[(6-methoxy-3-pyridinyl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285096
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 26245375

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea (CID 47139416) is 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea is COc1ccc(NC(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea?
The InChIKey is HQZATPKJSIHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(12-6-4-3-5-7-12)17-15(19)18-13-8-9-14(20-2)16-10-13/h3-11H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea?
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 47139416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).