1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea

C17H28N4O2 — CID 110894667

IUPAC1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea
SMILESCCN(CC)c1ccc(CNC(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-3-21(4-2)16-10-5-13(11-18-16)12-19-17(23)20-14-6-8-15(22)9-7-14/h5,10-11,14-15,22H,3-4,6-9,12H2,1-2H3,(H2,19,20,23)
InChIKeyGRNAKFLOUVEAOT-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.03
Rot. Bonds6

About 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea

1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 110894667) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID110894667
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea
SMILESCCN(CC)c1ccc(CNC(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-3-21(4-2)16-10-5-13(11-18-16)12-19-17(23)20-14-6-8-15(22)9-7-14/h5,10-11,14-15,22H,3-4,6-9,12H2,1-2H3,(H2,19,20,23)
InChIKeyGRNAKFLOUVEAOT-UHFFFAOYSA-N
XLogP2.03
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea (CID 110894667) is 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea is CCN(CC)c1ccc(CNC(=O)NC2CCC(O)CC2)cn1.
What is the InChIKey of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is GRNAKFLOUVEAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-21(4-2)16-10-5-13(11-18-16)12-19-17(23)20-14-6-8-15(22)9-7-14/h5,10-11,14-15,22H,3-4,6-9,12H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea?
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 320.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110894667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).