N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

C18H17FN2O3 — CID 3833807

IUPACN-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H17FN2O3/c1-9-11(16(23)21-18(2,3)4)8-13-15(22)12-7-10(19)5-6-14(12)24-17(13)20-9/h5-8H,1-4H3,(H,21,23)
InChIKeyLENJMGNMKSEHTD-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.32
Rot. Bonds1

About N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 3833807) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
PubChem CID3833807
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H17FN2O3/c1-9-11(16(23)21-18(2,3)4)8-13-15(22)12-7-10(19)5-6-14(12)24-17(13)20-9/h5-8H,1-4H3,(H,21,23)
InChIKeyLENJMGNMKSEHTD-UHFFFAOYSA-N
XLogP3.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (CID 3833807) is N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is LENJMGNMKSEHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-9-11(16(23)21-18(2,3)4)8-13-15(22)12-7-10(19)5-6-14(12)24-17(13)20-9/h5-8H,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 3833807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).