2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 60940395

IUPAC2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CNC(=O)C2CCCCC2C(=O)O)cn1
InChIInChI=1S/C15H20N2O4/c1-21-13-7-6-10(8-16-13)9-17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyBJNGSLRPZMUSEP-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.60
Rot. Bonds5

About 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 60940395) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID60940395
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CNC(=O)C2CCCCC2C(=O)O)cn1
InChIInChI=1S/C15H20N2O4/c1-21-13-7-6-10(8-16-13)9-17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyBJNGSLRPZMUSEP-UHFFFAOYSA-N
XLogP1.60
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 42930455
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416
2-[(3-butoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22686669
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 60940395) is 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is COc1ccc(CNC(=O)C2CCCCC2C(=O)O)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is BJNGSLRPZMUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-7-6-10(8-16-13)9-17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60940395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).