5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide

C19H22N2O4 — CID 131935068

IUPAC5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)cc1=O
InChIInChI=1S/C19H22N2O4/c1-11-5-6-12-14(9-19(2,3)25-16(12)7-11)21-18(23)13-8-15(22)17(24-4)10-20-13/h5-8,10,14H,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyVKVYPBJXSOAGIZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.72
Rot. Bonds3

About 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide

5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide (PubChem CID 131935068) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide
PubChem CID131935068
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)cc1=O
InChIInChI=1S/C19H22N2O4/c1-11-5-6-12-14(9-19(2,3)25-16(12)7-11)21-18(23)13-8-15(22)17(24-4)10-20-13/h5-8,10,14H,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyVKVYPBJXSOAGIZ-UHFFFAOYSA-N
XLogP2.72
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-6-methyl-4-oxopyran-2-carboxamide
CID 91789923
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294
2-methyl-3-nitro-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99995286
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,6-dimethyl-4-oxopyridine-2-carboxamide
CID 125167333
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide (CID 131935068) is 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)NC2CC(C)(C)Oc3cc(C)ccc32)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide?
The InChIKey is VKVYPBJXSOAGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11-5-6-12-14(9-19(2,3)25-16(12)7-11)21-18(23)13-8-15(22)17(24-4)10-20-13/h5-8,10,14H,9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide?
5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 131935068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).