N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide

C20H24N2O3 — CID 71660062

IUPACN-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)COCC2
InChIInChI=1S/C20H24N2O3/c1-2-3-10-22-18-9-11-25-14-16(18)12-17(20(22)24)19(23)21-13-15-7-5-4-6-8-15/h4-8,12H,2-3,9-11,13-14H2,1H3,(H,21,23)
InChIKeyIDTMPORIPRTCKP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.65
Rot. Bonds6

About N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide

N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide (PubChem CID 71660062) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
PubChem CID71660062
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)COCC2
InChIInChI=1S/C20H24N2O3/c1-2-3-10-22-18-9-11-25-14-16(18)12-17(20(22)24)19(23)21-13-15-7-5-4-6-8-15/h4-8,12H,2-3,9-11,13-14H2,1H3,(H,21,23)
InChIKeyIDTMPORIPRTCKP-UHFFFAOYSA-N
XLogP2.65
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide (CID 71660062) is N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)COCC2.
What is the InChIKey of N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
The InChIKey is IDTMPORIPRTCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-3-10-22-18-9-11-25-14-16(18)12-17(20(22)24)19(23)21-13-15-7-5-4-6-8-15/h4-8,12H,2-3,9-11,13-14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-2-oxo-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 71660062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).