N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C16H18N2O3 — CID 949666

IUPACN-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O3/c1-10-9-14(19)21-11(2)15(10)16(20)17-12-5-7-13(8-6-12)18(3)4/h5-9H,1-4H3,(H,17,20)
InChIKeyBTSVUWUNTCHDGE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.57
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 949666) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID949666
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O3/c1-10-9-14(19)21-11(2)15(10)16(20)17-12-5-7-13(8-6-12)18(3)4/h5-9H,1-4H3,(H,17,20)
InChIKeyBTSVUWUNTCHDGE-UHFFFAOYSA-N
XLogP2.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 949666) is N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is BTSVUWUNTCHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-9-14(19)21-11(2)15(10)16(20)17-12-5-7-13(8-6-12)18(3)4/h5-9H,1-4H3,(H,17,20).
What are the key properties of N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 949666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).