methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate

C15H21N3O4 — CID 71857049

IUPACmethyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1NC(=O)Nc1cccnc1OC
InChIInChI=1S/C15H21N3O4/c1-21-13-12(8-5-9-16-13)18-15(20)17-11-7-4-3-6-10(11)14(19)22-2/h5,8-11H,3-4,6-7H2,1-2H3,(H2,17,18,20)
InChIKeyVHHDXKOLZNGYNZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate

methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate (PubChem CID 71857049) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate
PubChem CID71857049
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1NC(=O)Nc1cccnc1OC
InChIInChI=1S/C15H21N3O4/c1-21-13-12(8-5-9-16-13)18-15(20)17-11-7-4-3-6-10(11)14(19)22-2/h5,8-11H,3-4,6-7H2,1-2H3,(H2,17,18,20)
InChIKeyVHHDXKOLZNGYNZ-UHFFFAOYSA-N
XLogP1.94
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 71972988
1-(2-methoxy-3-pyridinyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030553
1-(2-methoxy-3-pyridinyl)-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 94796982
1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 96999764
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116670
trans-methyl (1S,2S)-2-[[2-(ethoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylate
CID 96536767
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
methyl 2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 75440536
1-(2-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47042572
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate (CID 71857049) is methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1NC(=O)Nc1cccnc1OC.
What is the InChIKey of methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate?
The InChIKey is VHHDXKOLZNGYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-13-12(8-5-9-16-13)18-15(20)17-11-7-4-3-6-10(11)14(19)22-2/h5,8-11H,3-4,6-7H2,1-2H3,(H2,17,18,20).
What are the key properties of methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate?
methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 71857049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).