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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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).