2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide

C18H15NO3 — CID 917494

IUPAC2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15NO3/c1-11-10-16(20)22-12(2)17(11)18(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H,19,21)
InChIKeyPBUHJYCCIHAAKQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

About 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide

2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide (PubChem CID 917494) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide
PubChem CID917494
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H15NO3/c1-11-10-16(20)22-12(2)17(11)18(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H,19,21)
InChIKeyPBUHJYCCIHAAKQ-UHFFFAOYSA-N
XLogP3.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Naphthyl)hexanamide
CID 532117
N-(1-Naphthyl)Maleamic Acid
CID 1549986
2,4-dimethyl-N-(2-methylphenyl)-6-oxopyran-3-carboxamide
CID 917461
N-(naphthalen-1-yl)propanamide
CID 307009
N-1-naphthyl-3-oxobutyramide
CID 66588
Methyl 3-(naphthalen-1-ylcarbamoyl)propanoate
CID 2264287
methyl 5-methyl-1-naphthalen-1-yl-2-oxo-3H-pyrrole-4-carboxylate
CID 923198
N-(1-Naphthyl)cinnamamide
CID 5371838
N-(2,3-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 16008354
Dimethyl 4,4'-(1,5-naphthalenediyldiimino)bis(4-oxobutanoate)
CID 1067758
Allyl 4-(1-naphthylamino)-4-oxobutanoate
CID 2054601
4-Oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoic acid
CID 2732001

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide (CID 917494) is 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide?
The InChIKey is PBUHJYCCIHAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-10-16(20)22-12(2)17(11)18(21)19-15-9-5-7-13-6-3-4-8-14(13)15/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide?
2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-naphthalen-1-yl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 917494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).