2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide

C13H18F2N2O2 — CID 107470719

IUPAC2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-9(2)19-8-4-3-6-17-13(18)10-5-7-16-12(15)11(10)14/h5,7,9H,3-4,6,8H2,1-2H3,(H,17,18)
InChIKeyIOZCMQYHWIRDNS-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.29
Rot. Bonds7

About 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide

2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (PubChem CID 107470719) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
PubChem CID107470719
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
SMILESCC(C)OCCCCNC(=O)c1ccnc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-9(2)19-8-4-3-6-17-13(18)10-5-7-16-12(15)11(10)14/h5,7,9H,3-4,6,8H2,1-2H3,(H,17,18)
InChIKeyIOZCMQYHWIRDNS-UHFFFAOYSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015195
2,3-difluoro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 105380997
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
2,3-difluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 105380583
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2,3-difluoro-N-(3-methylsulfinylbutyl)pyridine-4-carboxamide
CID 105381610
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
2,3-difluoro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 105381092
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide (CID 107470719) is 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is CC(C)OCCCCNC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
The InChIKey is IOZCMQYHWIRDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9(2)19-8-4-3-6-17-13(18)10-5-7-16-12(15)11(10)14/h5,7,9H,3-4,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide?
2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 107470719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).