N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide

C16H24N2O3 — CID 99621153

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(C)CCCCC2)cn1
InChIInChI=1S/C16H24N2O3/c1-16(8-4-3-5-9-16)15(19)18-13-6-7-14(17-12-13)21-11-10-20-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,19)
InChIKeyXAEAVFYXJOJROM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.02
Rot. Bonds6

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 99621153) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
PubChem CID99621153
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(C)CCCCC2)cn1
InChIInChI=1S/C16H24N2O3/c1-16(8-4-3-5-9-16)15(19)18-13-6-7-14(17-12-13)21-11-10-20-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,19)
InChIKeyXAEAVFYXJOJROM-UHFFFAOYSA-N
XLogP3.02
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclohexane-1-carboxamide
CID 43704144
1-(aminomethyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 115434828
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-(6-butoxy-3-pyridinyl)-1-methoxycyclopentane-1-carboxamide
CID 100775055
cis-(1S,3S)-1-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100775383
N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 103789447
1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
cis-(1S,3S)-1-ethoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylcyclohexane-1-carboxamide
CID 100777116
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 55635310
cis-(1R,3R)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778483
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide (CID 99621153) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide is COCCOc1ccc(NC(=O)C2(C)CCCCC2)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is XAEAVFYXJOJROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(8-4-3-5-9-16)15(19)18-13-6-7-14(17-12-13)21-11-10-20-2/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,19).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 99621153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).