2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide

C17H18N2O3 — CID 14857381

IUPAC2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide
SMILESCC1(C)CC(c2ccc[nH]c2=O)c2cc(C(N)=O)ccc2O1
InChIInChI=1S/C17H18N2O3/c1-17(2)9-13(11-4-3-7-19-16(11)21)12-8-10(15(18)20)5-6-14(12)22-17/h3-8,13H,9H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyUFBUDCAIVMWQMT-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.17
Rot. Bonds2

About 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide

2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide (PubChem CID 14857381) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide
PubChem CID14857381
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide
SMILESCC1(C)CC(c2ccc[nH]c2=O)c2cc(C(N)=O)ccc2O1
InChIInChI=1S/C17H18N2O3/c1-17(2)9-13(11-4-3-7-19-16(11)21)12-8-10(15(18)20)5-6-14(12)22-17/h3-8,13H,9H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyUFBUDCAIVMWQMT-UHFFFAOYSA-N
XLogP2.17
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide (CID 14857381) is 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide is CC1(C)CC(c2ccc[nH]c2=O)c2cc(C(N)=O)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide?
The InChIKey is UFBUDCAIVMWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2)9-13(11-4-3-7-19-16(11)21)12-8-10(15(18)20)5-6-14(12)22-17/h3-8,13H,9H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide?
2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxo-1H-pyridin-3-yl)-3,4-dihydrochromene-6-carboxamide is sourced from PubChem (CID 14857381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).