2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide

C17H17F2N3O2 — CID 109080310

IUPAC2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H17F2N3O2/c1-3-10(2)21-17(24)15-8-11(6-7-20-15)16(23)22-12-4-5-13(18)14(19)9-12/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJBHQPNWLEMVPDK-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.14
Rot. Bonds5

About 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide

2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109080310) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109080310
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H17F2N3O2/c1-3-10(2)21-17(24)15-8-11(6-7-20-15)16(23)22-12-4-5-13(18)14(19)9-12/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJBHQPNWLEMVPDK-UHFFFAOYSA-N
XLogP3.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
2-N-butan-2-yl-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080208
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
2-N-butan-2-yl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080291
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
4-N-(3,4-difluorophenyl)-2-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092464
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
2-N-butan-2-yl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080207
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide (CID 109080310) is 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JBHQPNWLEMVPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-3-10(2)21-17(24)15-8-11(6-7-20-15)16(23)22-12-4-5-13(18)14(19)9-12/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide?
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).