5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine

C29H46N4O4 — CID 159217417

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine
SMILESCCCCCCCCCCNC(CC)c1noc(C)n1.O=C(O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C16H31N3O.C13H15NO3/c1-4-6-7-8-9-10-11-12-13-17-15(5-2)16-18-14(3)20-19-16;15-13(16)11-6-5-10(9-3-4-9)12(14-11)17-7-8-1-2-8/h15,17H,4-13H2,1-3H3;5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyKRGCPPXDRLMICR-UHFFFAOYSA-N
MW514.71 g/mol
LogP7.01
Rot. Bonds17

About 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine

5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine (PubChem CID 159217417) has the molecular formula C29H46N4O4 and a molecular weight of 514.71 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine
PubChem CID159217417
Molecular FormulaC29H46N4O4
Molecular Weight514.71 g/mol
Exact Mass514.35
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine
SMILESCCCCCCCCCCNC(CC)c1noc(C)n1.O=C(O)c1ccc(C2CC2)c(OCC2CC2)n1
InChIInChI=1S/C16H31N3O.C13H15NO3/c1-4-6-7-8-9-10-11-12-13-17-15(5-2)16-18-14(3)20-19-16;15-13(16)11-6-5-10(9-3-4-9)12(14-11)17-7-8-1-2-8/h15,17H,4-13H2,1-3H3;5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyKRGCPPXDRLMICR-UHFFFAOYSA-N
XLogP7.01
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine (CID 159217417) is 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine is CCCCCCCCCCNC(CC)c1noc(C)n1.O=C(O)c1ccc(C2CC2)c(OCC2CC2)n1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine?
The InChIKey is KRGCPPXDRLMICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.C13H15NO3/c1-4-6-7-8-9-10-11-12-13-17-15(5-2)16-18-14(3)20-19-16;15-13(16)11-6-5-10(9-3-4-9)12(14-11)17-7-8-1-2-8/h15,17H,4-13H2,1-3H3;5-6,8-9H,1-4,7H2,(H,15,16).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine?
5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine has a molecular weight of 514.71 g/mol, XLogP of 7.01, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid;N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]decan-1-amine is sourced from PubChem (CID 159217417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).