3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide

C14H22FN3O2 — CID 106015195

IUPAC3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCOC(C)C)c1F
InChIInChI=1S/C14H22FN3O2/c1-10(2)20-9-5-4-7-18-14(19)11-6-8-17-13(16-3)12(11)15/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRBMYDIOTGZTPIS-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.20
Rot. Bonds8

About 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (PubChem CID 106015195) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
PubChem CID106015195
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NCCCCOC(C)C)c1F
InChIInChI=1S/C14H22FN3O2/c1-10(2)20-9-5-4-7-18-14(19)11-6-8-17-13(16-3)12(11)15/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyRBMYDIOTGZTPIS-UHFFFAOYSA-N
XLogP2.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 107470719
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
3-fluoro-2-(methylamino)-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 105387455
N-[4-(dimethylamino)butyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385470
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
3-fluoro-2-(methylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 105385761

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (CID 106015195) is 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is CNc1nccc(C(=O)NCCCCOC(C)C)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The InChIKey is RBMYDIOTGZTPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-10(2)20-9-5-4-7-18-14(19)11-6-8-17-13(16-3)12(11)15/h6,8,10H,4-5,7,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106015195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).