1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea

C16H24N4O — CID 113014951

IUPAC1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NC2CCCCCC2)nc1)NC1CC1
InChIInChI=1S/C16H24N4O/c21-16(19-13-7-8-13)20-14-9-10-15(17-11-14)18-12-5-3-1-2-4-6-12/h9-13H,1-8H2,(H,17,18)(H2,19,20,21)
InChIKeyRKFMTAUIQYDLFL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.50
Rot. Bonds4

About 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea

1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea (PubChem CID 113014951) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
PubChem CID113014951
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
SMILESO=C(Nc1ccc(NC2CCCCCC2)nc1)NC1CC1
InChIInChI=1S/C16H24N4O/c21-16(19-13-7-8-13)20-14-9-10-15(17-11-14)18-12-5-3-1-2-4-6-12/h9-13H,1-8H2,(H,17,18)(H2,19,20,21)
InChIKeyRKFMTAUIQYDLFL-UHFFFAOYSA-N
XLogP3.50
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
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-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea?
The IUPAC name of 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea (CID 113014951) is 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea?
The canonical SMILES for 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea is O=C(Nc1ccc(NC2CCCCCC2)nc1)NC1CC1.
What is the InChIKey of 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea?
The InChIKey is RKFMTAUIQYDLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(19-13-7-8-13)20-14-9-10-15(17-11-14)18-12-5-3-1-2-4-6-12/h9-13H,1-8H2,(H,17,18)(H2,19,20,21).
What are the key properties of 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea?
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea has a molecular weight of 288.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea is sourced from PubChem (CID 113014951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).