N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C14H13BrFN3O — CID 169024637

IUPACN-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(F)c1cc(C(=O)Nc2ccnc(Br)c2)ccn1
InChIInChI=1S/C14H13BrFN3O/c1-14(2,16)11-7-9(3-5-17-11)13(20)19-10-4-6-18-12(15)8-10/h3-8H,1-2H3,(H,18,19,20)
InChIKeySXUVIZITAJXGNZ-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.70
Rot. Bonds3

About N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 169024637) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID169024637
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC NameN-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCC(C)(F)c1cc(C(=O)Nc2ccnc(Br)c2)ccn1
InChIInChI=1S/C14H13BrFN3O/c1-14(2,16)11-7-9(3-5-17-11)13(20)19-10-4-6-18-12(15)8-10/h3-8H,1-2H3,(H,18,19,20)
InChIKeySXUVIZITAJXGNZ-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4,5-difluorophenyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024633
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
N-(2-tert-butyl-4-pyridinyl)pyridine-4-carboxamide
CID 110444823
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 169024637) is N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is CC(C)(F)c1cc(C(=O)Nc2ccnc(Br)c2)ccn1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is SXUVIZITAJXGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-14(2,16)11-7-9(3-5-17-11)13(20)19-10-4-6-18-12(15)8-10/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 338.18 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 169024637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).