1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea

C15H24N4O — CID 113024752

IUPAC1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C15H24N4O/c1-11(2)17-15(20)19-14-9-8-13(10-16-14)18-12-6-4-3-5-7-12/h8-12,18H,3-7H2,1-2H3,(H2,16,17,19,20)
InChIKeyNCAGLHWGTZBAGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.36
Rot. Bonds4

About 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea

1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea (PubChem CID 113024752) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
PubChem CID113024752
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C15H24N4O/c1-11(2)17-15(20)19-14-9-8-13(10-16-14)18-12-6-4-3-5-7-12/h8-12,18H,3-7H2,1-2H3,(H2,16,17,19,20)
InChIKeyNCAGLHWGTZBAGK-UHFFFAOYSA-N
XLogP3.36
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113038888
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-[5-(cyclohexylamino)-2-pyridinyl]oxane-4-carboxamide
CID 113024751
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
4-amino-N-[5-(cyclooctylamino)-2-pyridinyl]butanamide
CID 82034210
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea (CID 113024752) is 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(NC2CCCCC2)cn1.
What is the InChIKey of 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea?
The InChIKey is NCAGLHWGTZBAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)17-15(20)19-14-9-8-13(10-16-14)18-12-6-4-3-5-7-12/h8-12,18H,3-7H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea?
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea has a molecular weight of 276.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea is sourced from PubChem (CID 113024752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).