2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane

C14H22F2N2O — CID 164554308

IUPAC2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane
SMILESCC.CC(C)C(C)NC(=O)c1ccnc(C(F)F)c1
InChIInChI=1S/C12H16F2N2O.C2H6/c1-7(2)8(3)16-12(17)9-4-5-15-10(6-9)11(13)14;1-2/h4-8,11H,1-3H3,(H,16,17);1-2H3
InChIKeyUHTWGKZHJJQNIV-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.82
Rot. Bonds4

About 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane

2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane (PubChem CID 164554308) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane
PubChem CID164554308
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane
SMILESCC.CC(C)C(C)NC(=O)c1ccnc(C(F)F)c1
InChIInChI=1S/C12H16F2N2O.C2H6/c1-7(2)8(3)16-12(17)9-4-5-15-10(6-9)11(13)14;1-2/h4-8,11H,1-3H3,(H,16,17);1-2H3
InChIKeyUHTWGKZHJJQNIV-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane?
The IUPAC name of 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane (CID 164554308) is 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane.
What is the SMILES notation for 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane?
The canonical SMILES for 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane is CC.CC(C)C(C)NC(=O)c1ccnc(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane?
The InChIKey is UHTWGKZHJJQNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O.C2H6/c1-7(2)8(3)16-12(17)9-4-5-15-10(6-9)11(13)14;1-2/h4-8,11H,1-3H3,(H,16,17);1-2H3.
What are the key properties of 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane?
2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane has a molecular weight of 272.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide;ethane is sourced from PubChem (CID 164554308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).