1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea

C19H24N4O — CID 113026418

IUPAC1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(NCc2ccccc2)cn1)NC1CCCCC1
InChIInChI=1S/C19H24N4O/c24-19(22-16-9-5-2-6-10-16)23-18-12-11-17(14-21-18)20-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16,20H,2,5-6,9-10,13H2,(H2,21,22,23,24)
InChIKeyQTNCIGSQAUSSHO-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.15
Rot. Bonds5

About 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea

1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea (PubChem CID 113026418) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
PubChem CID113026418
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(NCc2ccccc2)cn1)NC1CCCCC1
InChIInChI=1S/C19H24N4O/c24-19(22-16-9-5-2-6-10-16)23-18-12-11-17(14-21-18)20-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16,20H,2,5-6,9-10,13H2,(H2,21,22,23,24)
InChIKeyQTNCIGSQAUSSHO-UHFFFAOYSA-N
XLogP4.15
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-cyclopropylurea
CID 113027296
1-cyclohexyl-3-[5-(prop-2-enylamino)-2-pyridinyl]urea
CID 113023884
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113027864
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113026364
1-cyclohexyl-3-[6-(furan-2-ylmethylamino)-3-pyridinyl]urea
CID 113011360
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801

Frequently Asked Questions

What is the IUPAC name of 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea?
The IUPAC name of 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea (CID 113026418) is 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea?
The canonical SMILES for 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea is O=C(Nc1ccc(NCc2ccccc2)cn1)NC1CCCCC1.
What is the InChIKey of 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea?
The InChIKey is QTNCIGSQAUSSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(22-16-9-5-2-6-10-16)23-18-12-11-17(14-21-18)20-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16,20H,2,5-6,9-10,13H2,(H2,21,22,23,24).
What are the key properties of 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea?
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea has a molecular weight of 324.43 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea is sourced from PubChem (CID 113026418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).