1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea

C17H20N4O2 — CID 175810660

IUPAC1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea
SMILESNC(=O)N(c1cccnc1)c1ccc(C2CCC(O)CC2)nc1
InChIInChI=1S/C17H20N4O2/c18-17(23)21(13-2-1-9-19-10-13)14-5-8-16(20-11-14)12-3-6-15(22)7-4-12/h1-2,5,8-12,15,22H,3-4,6-7H2,(H2,18,23)
InChIKeyKEGLVBSAPUPJRY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.71
Rot. Bonds3

About 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea

1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea (PubChem CID 175810660) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea
PubChem CID175810660
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea
SMILESNC(=O)N(c1cccnc1)c1ccc(C2CCC(O)CC2)nc1
InChIInChI=1S/C17H20N4O2/c18-17(23)21(13-2-1-9-19-10-13)14-5-8-16(20-11-14)12-3-6-15(22)7-4-12/h1-2,5,8-12,15,22H,3-4,6-7H2,(H2,18,23)
InChIKeyKEGLVBSAPUPJRY-UHFFFAOYSA-N
XLogP2.71
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
N,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
2-[4-(3-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 95822061
1-[[3-[carbamoyl(pyridin-3-yl)amino]-5-fluorophenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 56840367
1,1-diphenylurea
CID 174849888
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
1-[3-[[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]methyl]-5-fluorophenyl]-1-pyridin-3-ylurea
CID 56838843
N-(4-hydroxycyclohexyl)-N-methyl-3-pyridin-3-ylpropanamide
CID 115277440
1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95828832
1-(2-methylphenyl)-1-(6-methyl-3-pyridinyl)urea
CID 57201997
4-(N-pyridin-3-ylanilino)benzamide
CID 123396260
4-[imidazo[1,2-a]pyrazin-8-yl(pyridin-3-yl)amino]cyclohexan-1-ol
CID 91170807

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea?
The IUPAC name of 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea (CID 175810660) is 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea.
What is the SMILES notation for 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea?
The canonical SMILES for 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea is NC(=O)N(c1cccnc1)c1ccc(C2CCC(O)CC2)nc1.
What is the InChIKey of 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea?
The InChIKey is KEGLVBSAPUPJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17(23)21(13-2-1-9-19-10-13)14-5-8-16(20-11-14)12-3-6-15(22)7-4-12/h1-2,5,8-12,15,22H,3-4,6-7H2,(H2,18,23).
What are the key properties of 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea?
1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea has a molecular weight of 312.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-hydroxycyclohexyl)-3-pyridinyl]-1-pyridin-3-ylurea is sourced from PubChem (CID 175810660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).