6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine

C30H46F2N4O3S — CID 158306261

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine
SMILESCCCCCCCCCCNC(C)(C)c1ncc(C)s1.O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H32N2S.C13H14F2N2O3/c1-5-6-7-8-9-10-11-12-13-19-17(3,4)16-18-14-15(2)20-16;14-13(15)6-17(7-13)10-4-3-9(12(18)19)16-11(10)20-5-8-1-2-8/h14,19H,5-13H2,1-4H3;3-4,8H,1-2,5-7H2,(H,18,19)
InChIKeyGNCRAXLBXOFDIF-UHFFFAOYSA-N
MW580.79 g/mol
LogP7.44
Rot. Bonds16

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine (PubChem CID 158306261) has the molecular formula C30H46F2N4O3S and a molecular weight of 580.79 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine
PubChem CID158306261
Molecular FormulaC30H46F2N4O3S
Molecular Weight580.79 g/mol
Exact Mass580.33
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine
SMILESCCCCCCCCCCNC(C)(C)c1ncc(C)s1.O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C17H32N2S.C13H14F2N2O3/c1-5-6-7-8-9-10-11-12-13-19-17(3,4)16-18-14-15(2)20-16;14-13(15)6-17(7-13)10-4-3-9(12(18)19)16-11(10)20-5-8-1-2-8/h14,19H,5-13H2,1-4H3;3-4,8H,1-2,5-7H2,(H,18,19)
InChIKeyGNCRAXLBXOFDIF-UHFFFAOYSA-N
XLogP7.44
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.79
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]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 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine (CID 158306261) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine is CCCCCCCCCCNC(C)(C)c1ncc(C)s1.O=C(O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine?
The InChIKey is GNCRAXLBXOFDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S.C13H14F2N2O3/c1-5-6-7-8-9-10-11-12-13-19-17(3,4)16-18-14-15(2)20-16;14-13(15)6-17(7-13)10-4-3-9(12(18)19)16-11(10)20-5-8-1-2-8/h14,19H,5-13H2,1-4H3;3-4,8H,1-2,5-7H2,(H,18,19).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine has a molecular weight of 580.79 g/mol, XLogP of 7.44, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid;N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]decan-1-amine is sourced from PubChem (CID 158306261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).