N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

C20H24N2O4 — CID 125167333

IUPACN-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(=O)cc(C)n1C
InChIInChI=1S/C20H24N2O4/c1-12-8-13(23)9-17(22(12)4)19(24)21-16-11-20(2,3)26-18-10-14(25-5)6-7-15(16)18/h6-10,16H,11H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyQKJXNXUOJYNKGX-INIZCTEOSA-N
MW356.42 g/mol
LogP2.73
Rot. Bonds3

About N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (PubChem CID 125167333) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
PubChem CID125167333
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(=O)cc(C)n1C
InChIInChI=1S/C20H24N2O4/c1-12-8-13(23)9-17(22(12)4)19(24)21-16-11-20(2,3)26-18-10-14(25-5)6-7-15(16)18/h6-10,16H,11H2,1-5H3,(H,21,24)/t16-/m0/s1
InChIKeyQKJXNXUOJYNKGX-INIZCTEOSA-N
XLogP2.73
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide with MolForge

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
CID 91789923
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118780187
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118788171
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94013924
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 50949936
4-(azepan-1-ylmethyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 94013930
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide (CID 125167333) is N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(=O)cc(C)n1C.
What is the InChIKey of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
The InChIKey is QKJXNXUOJYNKGX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-8-13(23)9-17(22(12)4)19(24)21-16-11-20(2,3)26-18-10-14(25-5)6-7-15(16)18/h6-10,16H,11H2,1-5H3,(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide?
N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 125167333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).