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

C15H24N4O2 — CID 110936304

IUPAC1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCN(C)c1ccc(NC(=O)NCC2(O)CCCCC2)cn1
InChIInChI=1S/C15H24N4O2/c1-19(2)13-7-6-12(10-16-13)18-14(20)17-11-15(21)8-4-3-5-9-15/h6-7,10,21H,3-5,8-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyRSSFHIRNDVXDOW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds4

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

1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 110936304) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID110936304
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCN(C)c1ccc(NC(=O)NCC2(O)CCCCC2)cn1
InChIInChI=1S/C15H24N4O2/c1-19(2)13-7-6-12(10-16-13)18-14(20)17-11-15(21)8-4-3-5-9-15/h6-7,10,21H,3-5,8-9,11H2,1-2H3,(H2,17,18,20)
InChIKeyRSSFHIRNDVXDOW-UHFFFAOYSA-N
XLogP1.96
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-(benzylamino)-3-pyridinyl]carbamate
CID 110176786
tert-Butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate
CID 2756375
tert-Butyl 4-(5-aminopyridin-2-yl)piperazine-1-carboxylate
CID 17999304
1-[6-(Dimethylamino)-3-pyridinyl]-3-(oxolan-3-ylmethyl)urea
CID 47221444
N-(cyclohexylmethyl)-4-ethyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazine-2-carboxamide
CID 53189820
1-(2-Morpholin-4-yl-3-pyridinyl)-3-(1-phenylethyl)urea
CID 53529515
1-[(4-Fluorophenyl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 71895009
1-(2-Hydroxy-2,3-dimethylbutyl)-3-pyridin-2-ylurea
CID 72042768
1-[2-(Dimethylamino)-6-methyl-3-pyridinyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 75432489
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 86770965
2-[[6-(3-Aminophenyl)pyrazin-2-yl]amino]butan-1-ol
CID 172434790
N-[3-[3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyrazin-2-yl]phenyl]acetamide
CID 172434929

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 110936304) is 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea is CN(C)c1ccc(NC(=O)NCC2(O)CCCCC2)cn1.
What is the InChIKey of 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is RSSFHIRNDVXDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-19(2)13-7-6-12(10-16-13)18-14(20)17-11-15(21)8-4-3-5-9-15/h6-7,10,21H,3-5,8-9,11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 110936304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).