1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C16H24N4O2 — CID 75461240

IUPAC1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCCC2)nc1)NC1CCC(O)CC1
InChIInChI=1S/C16H24N4O2/c21-14-6-3-12(4-7-14)18-16(22)19-13-5-8-15(17-11-13)20-9-1-2-10-20/h5,8,11-12,14,21H,1-4,6-7,9-10H2,(H2,18,19,22)
InChIKeyAIKQYPBEQNASRJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.11
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 75461240) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID75461240
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(Nc1ccc(N2CCCC2)nc1)NC1CCC(O)CC1
InChIInChI=1S/C16H24N4O2/c21-14-6-3-12(4-7-14)18-16(22)19-13-5-8-15(17-11-13)20-9-1-2-10-20/h5,8,11-12,14,21H,1-4,6-7,9-10H2,(H2,18,19,22)
InChIKeyAIKQYPBEQNASRJ-UHFFFAOYSA-N
XLogP2.11
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
1-cyclohexyl-3-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]urea
CID 113011163
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 113013160
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(6-piperidin-1-yl-3-pyridinyl)urea
CID 100852720
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 167860273
1-cyclopropyl-3-[6-(piperidine-1-carbonyl)-3-pyridinyl]urea
CID 75503861
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 75461240) is 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(Nc1ccc(N2CCCC2)nc1)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is AIKQYPBEQNASRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-14-6-3-12(4-7-14)18-16(22)19-13-5-8-15(17-11-13)20-9-1-2-10-20/h5,8,11-12,14,21H,1-4,6-7,9-10H2,(H2,18,19,22).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 75461240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).