4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C16H16F3N3O — CID 109217060

IUPAC4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H16F3N3O/c1-16(2,3)22-9-6-7-20-12(8-9)15(23)21-11-5-4-10(17)13(18)14(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyQXGVDRUWEZECTR-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.96
Rot. Bonds3

About 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109217060) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109217060
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCC(C)(C)Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H16F3N3O/c1-16(2,3)22-9-6-7-20-12(8-9)15(23)21-11-5-4-10(17)13(18)14(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyQXGVDRUWEZECTR-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.96
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

4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109210872
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
4-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109208700

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109217060) is 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is CC(C)(C)Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is QXGVDRUWEZECTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-16(2,3)22-9-6-7-20-12(8-9)15(23)21-11-5-4-10(17)13(18)14(11)19/h4-8H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).