2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide

C16H17BrFN3O2 — CID 143220419

IUPAC2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
SMILESCCCONC(=O)c1cc(Br)ncc1Nc1ccc(C)cc1F
InChIInChI=1S/C16H17BrFN3O2/c1-3-6-23-21-16(22)11-8-15(17)19-9-14(11)20-13-5-4-10(2)7-12(13)18/h4-5,7-9,20H,3,6H2,1-2H3,(H,21,22)
InChIKeyRSAUFUIIPGNWKJ-UHFFFAOYSA-N
MW382.23 g/mol
LogP4.11
Rot. Bonds6

About 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide

2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide (PubChem CID 143220419) has the molecular formula C16H17BrFN3O2 and a molecular weight of 382.23 g/mol. Its IUPAC name is 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
PubChem CID143220419
Molecular FormulaC16H17BrFN3O2
Molecular Weight382.23 g/mol
Exact Mass381.05
IUPAC Name2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
SMILESCCCONC(=O)c1cc(Br)ncc1Nc1ccc(C)cc1F
InChIInChI=1S/C16H17BrFN3O2/c1-3-6-23-21-16(22)11-8-15(17)19-9-14(11)20-13-5-4-10(2)7-12(13)18/h4-5,7-9,20H,3,6H2,1-2H3,(H,21,22)
InChIKeyRSAUFUIIPGNWKJ-UHFFFAOYSA-N
XLogP4.11
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(4-bromo-2-fluoroanilino)-N-propoxy-1,2-benzothiazole-6-carboxamide
CID 143922207
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 143922220
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
4-(4-bromo-2-fluoroanilino)-5-fluoro-6-oxo-N-propoxy-1H-pyridine-3-carboxamide
CID 87855012
8-chloro-5-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
CID 143830526
6-cyano-5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyridine-3-carboxamide
CID 166940184
8-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 143826385
7-(2-fluoro-4-methylsulfanylanilino)-N-propoxy-1,2-benzothiazole-6-carboxamide
CID 143922188
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
5-acetyl-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1H-pyrrole-3-carboxamide;ethane
CID 143666998
ethane;N-(2-ethenoxyethoxy)-5-(2-fluoro-4-methylanilino)imidazo[1,5-a]pyridine-6-carboxamide;molecular hydrogen
CID 143830550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide?
The IUPAC name of 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide (CID 143220419) is 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide?
The canonical SMILES for 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide is CCCONC(=O)c1cc(Br)ncc1Nc1ccc(C)cc1F.
What is the InChIKey of 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide?
The InChIKey is RSAUFUIIPGNWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O2/c1-3-6-23-21-16(22)11-8-15(17)19-9-14(11)20-13-5-4-10(2)7-12(13)18/h4-5,7-9,20H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide?
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide has a molecular weight of 382.23 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide is sourced from PubChem (CID 143220419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).