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

C18H18N2O3 — CID 1475298

IUPACN-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2oc3ccccc3c(=O)c2cc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H18N2O3/c1-10-12(16(22)20-18(2,3)4)9-13-15(21)11-7-5-6-8-14(11)23-17(13)19-10/h5-9H,1-4H3,(H,20,22)
InChIKeyBSZCCDHMLWOJTO-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.18
Rot. Bonds1

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

N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 1475298) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
PubChem CID1475298
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2oc3ccccc3c(=O)c2cc1C(=O)NC(C)(C)C
InChIInChI=1S/C18H18N2O3/c1-10-12(16(22)20-18(2,3)4)9-13-15(21)11-7-5-6-8-14(11)23-17(13)19-10/h5-9H,1-4H3,(H,20,22)
InChIKeyBSZCCDHMLWOJTO-UHFFFAOYSA-N
XLogP3.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.18
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-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (CID 1475298) is N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is BSZCCDHMLWOJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-12(16(22)20-18(2,3)4)9-13-15(21)11-7-5-6-8-14(11)23-17(13)19-10/h5-9H,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 1475298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).