4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide

C18H19BrFN3O3 — CID 11690375

IUPAC4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(C(=O)NOCC2CC2)cn(C)c1=O
InChIInChI=1S/C18H19BrFN3O3/c1-10-16(21-15-6-5-12(19)7-14(15)20)13(8-23(2)18(10)25)17(24)22-26-9-11-3-4-11/h5-8,11,21H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyBQGFWXFSIJBNLM-UHFFFAOYSA-N
MW424.27 g/mol
LogP3.41
Rot. Bonds6

About 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide

4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 11690375) has the molecular formula C18H19BrFN3O3 and a molecular weight of 424.27 g/mol. Its IUPAC name is 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID11690375
Molecular FormulaC18H19BrFN3O3
Molecular Weight424.27 g/mol
Exact Mass423.06
IUPAC Name4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCc1c(Nc2ccc(Br)cc2F)c(C(=O)NOCC2CC2)cn(C)c1=O
InChIInChI=1S/C18H19BrFN3O3/c1-10-16(21-15-6-5-12(19)7-14(15)20)13(8-23(2)18(10)25)17(24)22-26-9-11-3-4-11/h5-8,11,21H,3-4,9H2,1-2H3,(H,22,24)
InChIKeyBQGFWXFSIJBNLM-UHFFFAOYSA-N
XLogP3.41
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-fluoroanilino)-N-ethoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 11395411
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
4-(4-bromo-2-fluoroanilino)-1-(cyclopropylmethylsulfonyl)-5-methyl-6-oxopyridine-3-carboxamide
CID 69488552
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
CID 58360709
cyclopropylmethyl 4-(4-bromo-2-fluoroanilino)-1-carbamoyl-5-[fluoro(methylsulfonyl)methyl]-6-oxopyridine-3-carboxylate
CID 69487927
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
6-(4-bromo-2-methylanilino)-3-(2-cyanoethyl)-N-(cyclopropylmethoxy)-7-fluorobenzimidazole-5-carboxamide
CID 87688562
6-(4-bromo-2-chloroanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-propylbenzimidazole-5-carboxamide
CID 59792638
6-(2-chloro-4-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-methyl-1,2-benzoxazole-5-carboxamide
CID 58760516
6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-pent-4-enylbenzimidazole-5-carboxamide
CID 58890614
7-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxybutoxy)imidazo[1,2-a]pyridine-6-carboxamide
CID 89353191
N-[4-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 71163488

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 11690375) is 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide is Cc1c(Nc2ccc(Br)cc2F)c(C(=O)NOCC2CC2)cn(C)c1=O.
What is the InChIKey of 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is BQGFWXFSIJBNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O3/c1-10-16(21-15-6-5-12(19)7-14(15)20)13(8-23(2)18(10)25)17(24)22-26-9-11-3-4-11/h5-8,11,21H,3-4,9H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 424.27 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluoroanilino)-N-(cyclopropylmethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11690375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).