N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

C16H16F3N3O — CID 109203420

IUPACN-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C16H16F3N3O/c1-3-9(2)21-16(23)13-8-10(6-7-20-13)22-12-5-4-11(17)14(18)15(12)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVBXUASMEAKDCKN-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.77
Rot. Bonds5

About N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide

N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (PubChem CID 109203420) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
PubChem CID109203420
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C16H16F3N3O/c1-3-9(2)21-16(23)13-8-10(6-7-20-13)22-12-5-4-11(17)14(18)15(12)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVBXUASMEAKDCKN-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
CID 109203407
N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109205837
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide (CID 109203420) is N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(F)c(F)c2F)ccn1.
What is the InChIKey of N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
The InChIKey is VBXUASMEAKDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-3-9(2)21-16(23)13-8-10(6-7-20-13)22-12-5-4-11(17)14(18)15(12)19/h4-9H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide?
N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109203420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).