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

C14H21N3O2 — CID 47139424

IUPAC1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-19-13-9-8-12(10-15-13)17-14(18)16-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H2,16,17,18)
InChIKeySDDBTDYIQCYCHU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.93
Rot. Bonds3

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

1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 47139424) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
PubChem CID47139424
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-19-13-9-8-12(10-15-13)17-14(18)16-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H2,16,17,18)
InChIKeySDDBTDYIQCYCHU-UHFFFAOYSA-N
XLogP2.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
CID 136534294
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
4-[(6-methoxy-3-pyridinyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216088
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea (CID 47139424) is 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)NC2CCCCCC2)cn1.
What is the InChIKey of 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is SDDBTDYIQCYCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-9-8-12(10-15-13)17-14(18)16-11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H2,16,17,18).
What are the key properties of 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea?
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 47139424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).