2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide

C12H16F2N2O — CID 105381129

IUPAC2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-3-4-5-8(2)16-12(17)9-6-7-15-11(14)10(9)13/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyCVNTZCCELAFZLJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.67
Rot. Bonds5

About 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide

2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide (PubChem CID 105381129) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
PubChem CID105381129
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccnc(F)c1F
InChIInChI=1S/C12H16F2N2O/c1-3-4-5-8(2)16-12(17)9-6-7-15-11(14)10(9)13/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyCVNTZCCELAFZLJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10089466
N-Ethylnicotinamide
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Crotoniazide
CID 5369886
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CID 40146
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CID 72487
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CID 91810435
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CID 10735
Phenatine
CID 120640

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide (CID 105381129) is 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide is CCCCC(C)NC(=O)c1ccnc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide?
The InChIKey is CVNTZCCELAFZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-3-4-5-8(2)16-12(17)9-6-7-15-11(14)10(9)13/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide?
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide has a molecular weight of 242.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105381129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).