2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide

C18H18N2O3 — CID 14518004

IUPAC2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
SMILESCC1=C(n2ccccc2=O)c2cc(C(N)=O)ccc2OC1(C)C
InChIInChI=1S/C18H18N2O3/c1-11-16(20-9-5-4-6-15(20)21)13-10-12(17(19)22)7-8-14(13)23-18(11,2)3/h4-10H,1-3H3,(H2,19,22)
InChIKeyVLHAHQRWNJFZGP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.40
Rot. Bonds2

About 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide

2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide (PubChem CID 14518004) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
PubChem CID14518004
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
SMILESCC1=C(n2ccccc2=O)c2cc(C(N)=O)ccc2OC1(C)C
InChIInChI=1S/C18H18N2O3/c1-11-16(20-9-5-4-6-15(20)21)13-10-12(17(19)22)7-8-14(13)23-18(11,2)3/h4-10H,1-3H3,(H2,19,22)
InChIKeyVLHAHQRWNJFZGP-UHFFFAOYSA-N
XLogP2.40
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14182564
methyl 4-(4-hydroxy-2-oxo-1-pyridinyl)-2,2,3-trimethylchromene-6-carboxylate
CID 57242305
2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbothioamide
CID 14182565
1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one
CID 19387264
N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide
CID 19880340
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]pyridin-2-one
CID 19387039
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-1,3-benzoxazine-6-carbothioamide
CID 19816943
N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide
CID 10135235
1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
CID 19888514
N'-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboximidamide
CID 10781328
3-chloro-4-(2-oxo-1-pyridinyl)benzamide
CID 67481316

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide?
The IUPAC name of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide (CID 14518004) is 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide.
What is the SMILES notation for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide?
The canonical SMILES for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide is CC1=C(n2ccccc2=O)c2cc(C(N)=O)ccc2OC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide?
The InChIKey is VLHAHQRWNJFZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-16(20-9-5-4-6-15(20)21)13-10-12(17(19)22)7-8-14(13)23-18(11,2)3/h4-10H,1-3H3,(H2,19,22).
What are the key properties of 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide?
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide is sourced from PubChem (CID 14518004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).