1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea

C15H22N4O — CID 113009249

IUPAC1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(NC2CC2)nc1)NC1CCCCC1
InChIInChI=1S/C15H22N4O/c20-15(18-11-4-2-1-3-5-11)19-13-8-9-14(16-10-13)17-12-6-7-12/h8-12H,1-7H2,(H,16,17)(H2,18,19,20)
InChIKeyKDMITJRNWPTFDK-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.11
Rot. Bonds4

About 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea

1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea (PubChem CID 113009249) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
PubChem CID113009249
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
SMILESO=C(Nc1ccc(NC2CC2)nc1)NC1CCCCC1
InChIInChI=1S/C15H22N4O/c20-15(18-11-4-2-1-3-5-11)19-13-8-9-14(16-10-13)17-12-6-7-12/h8-12H,1-7H2,(H,16,17)(H2,18,19,20)
InChIKeyKDMITJRNWPTFDK-UHFFFAOYSA-N
XLogP3.11
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098
1-cyclohexyl-3-[6-(4-fluoroanilino)-3-pyridinyl]urea
CID 113018351
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
1-cyclopropyl-3-[6-(3,4-difluoroanilino)-3-pyridinyl]urea
CID 113023257
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea (CID 113009249) is 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea is O=C(Nc1ccc(NC2CC2)nc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea?
The InChIKey is KDMITJRNWPTFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(18-11-4-2-1-3-5-11)19-13-8-9-14(16-10-13)17-12-6-7-12/h8-12H,1-7H2,(H,16,17)(H2,18,19,20).
What are the key properties of 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea?
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea has a molecular weight of 274.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea is sourced from PubChem (CID 113009249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).