4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide

C16H17F2N3O — CID 109203590

IUPAC4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H17F2N3O/c1-3-10(2)20-12-6-7-19-15(9-12)16(22)21-14-5-4-11(17)8-13(14)18/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVXBVZTBMAXXALD-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.82
Rot. Bonds5

About 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide

4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 109203590) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID109203590
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C16H17F2N3O/c1-3-10(2)20-12-6-7-19-15(9-12)16(22)21-14-5-4-11(17)8-13(14)18/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyVXBVZTBMAXXALD-UHFFFAOYSA-N
XLogP3.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109203604
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
N-(2,4-difluorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207420
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
2-N-(2,4-difluorophenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078181
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600
4-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092315
2-N-(2,4-difluorophenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088871
N-(2,4-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109216800
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide (CID 109203590) is 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is VXBVZTBMAXXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-3-10(2)20-12-6-7-19-15(9-12)16(22)21-14-5-4-11(17)8-13(14)18/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide?
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109203590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).