N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide

C19H30N2O4 — CID 100778344

IUPACN-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCCCC1
InChIInChI=1S/C19H30N2O4/c1-4-10-25-19(8-6-5-7-9-19)18(22)21-16-13-15(2)17(20-14-16)24-12-11-23-3/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyPVIDZMUKZKISMM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.48
Rot. Bonds9

About N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide

N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide (PubChem CID 100778344) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide
PubChem CID100778344
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCCCC1
InChIInChI=1S/C19H30N2O4/c1-4-10-25-19(8-6-5-7-9-19)18(22)21-16-13-15(2)17(20-14-16)24-12-11-23-3/h13-14H,4-12H2,1-3H3,(H,21,22)
InChIKeyPVIDZMUKZKISMM-UHFFFAOYSA-N
XLogP3.48
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776998
N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxycycloheptane-1-carboxamide
CID 100777054
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
trans-(1R,3S)-N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100777234
N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100775701
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199
N-[3-methyl-4-(2-methylpropoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100714064

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide (CID 100778344) is N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2cnc(OCCOC)c(C)c2)CCCCC1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide?
The InChIKey is PVIDZMUKZKISMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-10-25-19(8-6-5-7-9-19)18(22)21-16-13-15(2)17(20-14-16)24-12-11-23-3/h13-14H,4-12H2,1-3H3,(H,21,22).
What are the key properties of N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide?
N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100778344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).