1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea

C14H21N3O2 — CID 97331929

IUPAC1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)N[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C14H21N3O2/c1-10-8-15-7-6-12(10)16-14(19)17-13-5-3-2-4-11(13)9-18/h6-8,11,13,18H,2-5,9H2,1H3,(H2,15,16,17,19)/t11-,13+/m0/s1
InChIKeyIMBSMKQPPCCAKQ-WCQYABFASA-N
MW263.34 g/mol
LogP2.06
Rot. Bonds3

About 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea

1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 97331929) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID97331929
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)N[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C14H21N3O2/c1-10-8-15-7-6-12(10)16-14(19)17-13-5-3-2-4-11(13)9-18/h6-8,11,13,18H,2-5,9H2,1H3,(H2,15,16,17,19)/t11-,13+/m0/s1
InChIKeyIMBSMKQPPCCAKQ-WCQYABFASA-N
XLogP2.06
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
1-(4-ethoxy-2-methylphenyl)-3-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525276
1-(4-ethoxy-2-methylphenyl)-3-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96525275
1-(3-bromo-2-methylphenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636925
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025
1-[2-(hydroxymethyl)cyclohexyl]-3-(2-methoxy-5-methylphenyl)urea
CID 111636078
2-(cyclopentylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63670868
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 95784228
1-(4-chlorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 103716143
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 167864411

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea (CID 97331929) is 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea is Cc1cnccc1NC(=O)N[C@@H]1CCCC[C@H]1CO.
What is the InChIKey of 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is IMBSMKQPPCCAKQ-WCQYABFASA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-8-15-7-6-12(10)16-14(19)17-13-5-3-2-4-11(13)9-18/h6-8,11,13,18H,2-5,9H2,1H3,(H2,15,16,17,19)/t11-,13+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea?
1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 97331929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).