1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea

C18H22N4O — CID 113010098

IUPAC1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C18H22N4O/c23-18(21-15-9-5-2-6-10-15)22-16-11-12-17(19-13-16)20-14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2,(H,19,20)(H2,21,22,23)
InChIKeyFSWFGNZQYLVBNO-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.47
Rot. Bonds4

About 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea

1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea (PubChem CID 113010098) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
PubChem CID113010098
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(NC2CCCCC2)nc1
InChIInChI=1S/C18H22N4O/c23-18(21-15-9-5-2-6-10-15)22-16-11-12-17(19-13-16)20-14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2,(H,19,20)(H2,21,22,23)
InChIKeyFSWFGNZQYLVBNO-UHFFFAOYSA-N
XLogP4.47
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
1-cyclohexyl-3-[6-(cyclopropylamino)-3-pyridinyl]urea
CID 113009249
1-[6-(cycloheptylamino)-3-pyridinyl]-3-cyclopropylurea
CID 113014951
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(cyclohexylamino)-3-pyridinyl]-2-phenoxyacetamide
CID 113010076
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
N-[6-(cyclohexylamino)-3-pyridinyl]propanamide
CID 113010037
N-[6-(cyclohexylamino)-3-pyridinyl]butanamide
CID 113010038
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea (CID 113010098) is 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(NC2CCCCC2)nc1.
What is the InChIKey of 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea?
The InChIKey is FSWFGNZQYLVBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(21-15-9-5-2-6-10-15)22-16-11-12-17(19-13-16)20-14-7-3-1-4-8-14/h2,5-6,9-14H,1,3-4,7-8H2,(H,19,20)(H2,21,22,23).
What are the key properties of 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea?
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea has a molecular weight of 310.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 113010098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).