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

C16H26N4O2 — CID 51082122

IUPAC1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
SMILESCCN(CC)c1ccc(NC(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-3-20(4-2)15-10-7-13(11-17-15)19-16(22)18-12-5-8-14(21)9-6-12/h7,10-12,14,21H,3-6,8-9H2,1-2H3,(H2,18,19,22)
InChIKeyAKLKLVKMLQLHSR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds5

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

1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 51082122) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
PubChem CID51082122
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea
SMILESCCN(CC)c1ccc(NC(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-3-20(4-2)15-10-7-13(11-17-15)19-16(22)18-12-5-8-14(21)9-6-12/h7,10-12,14,21H,3-6,8-9H2,1-2H3,(H2,18,19,22)
InChIKeyAKLKLVKMLQLHSR-UHFFFAOYSA-N
XLogP2.35
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-[[6-(diethylamino)-3-pyridinyl]methyl]benzamide
CID 55847521
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
1-[6-(diethylamino)-3-pyridinyl]-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
CID 71895001
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-[6-(diethylamino)-3-pyridinyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94168619
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914
2-[[6-(diethylamino)-3-pyridinyl]carbamoylamino]-N,N-dimethylacetamide
CID 47041050
2-(cyclopropylmethylamino)-N-[6-(diethylamino)-3-pyridinyl]acetamide;dihydrochloride
CID 119845923
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
5-N-cyclooctyl-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697274

Frequently Asked Questions

What is the IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea (CID 51082122) is 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea is CCN(CC)c1ccc(NC(=O)NC2CCC(O)CC2)cn1.
What is the InChIKey of 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is AKLKLVKMLQLHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-20(4-2)15-10-7-13(11-17-15)19-16(22)18-12-5-8-14(21)9-6-12/h7,10-12,14,21H,3-6,8-9H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea?
1-[6-(diethylamino)-3-pyridinyl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.35, 5 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]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 51082122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).