1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea

C20H26N4O — CID 113026834

IUPAC1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
SMILESCC(Nc1ccc(NC(=O)NC2CCCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-15(16-8-4-2-5-9-16)22-18-12-13-19(21-14-18)24-20(25)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11H2,1H3,(H2,21,23,24,25)
InChIKeyCXZFRHZRPKSTDW-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.71
Rot. Bonds5

About 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea

1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea (PubChem CID 113026834) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
PubChem CID113026834
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
SMILESCC(Nc1ccc(NC(=O)NC2CCCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-15(16-8-4-2-5-9-16)22-18-12-13-19(21-14-18)24-20(25)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11H2,1H3,(H2,21,23,24,25)
InChIKeyCXZFRHZRPKSTDW-UHFFFAOYSA-N
XLogP4.71
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109182921
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026778
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea (CID 113026834) is 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea is CC(Nc1ccc(NC(=O)NC2CCCCC2)nc1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea?
The InChIKey is CXZFRHZRPKSTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(16-8-4-2-5-9-16)22-18-12-13-19(21-14-18)24-20(25)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11H2,1H3,(H2,21,23,24,25).
What are the key properties of 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea?
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea has a molecular weight of 338.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea is sourced from PubChem (CID 113026834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).