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

C22H28N2O3 — CID 23587695

IUPAC1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)COCC2
InChIInChI=1S/C22H28N2O3/c1-4-5-12-24-19-11-13-27-15-16(19)14-18(21(24)26)20(25)23-22(2,3)17-9-7-6-8-10-17/h6-10,14H,4-5,11-13,15H2,1-3H3,(H,23,25)
InChIKeyKEAJOGYWKWILLT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.39
Rot. Bonds6

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

1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide (PubChem CID 23587695) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
PubChem CID23587695
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide
SMILESCCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)COCC2
InChIInChI=1S/C22H28N2O3/c1-4-5-12-24-19-11-13-27-15-16(19)14-18(21(24)26)20(25)23-22(2,3)17-9-7-6-8-10-17/h6-10,14H,4-5,11-13,15H2,1-3H3,(H,23,25)
InChIKeyKEAJOGYWKWILLT-UHFFFAOYSA-N
XLogP3.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide (CID 23587695) is 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide is CCCCn1c2c(cc(C(=O)NC(C)(C)c3ccccc3)c1=O)COCC2.
What is the InChIKey of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
The InChIKey is KEAJOGYWKWILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-5-12-24-19-11-13-27-15-16(19)14-18(21(24)26)20(25)23-22(2,3)17-9-7-6-8-10-17/h6-10,14H,4-5,11-13,15H2,1-3H3,(H,23,25).
What are the key properties of 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide?
1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-N-(2-phenylpropan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 23587695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).