N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide

C30H41N3O3 — CID 22106238

IUPACN-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(-c2cccc(OC)c2)c2cccnc2n(C)c1=O
InChIInChI=1S/C30H41N3O3/c1-6-7-8-9-10-11-12-13-19-30(2,3)29(35)32-26-25(22-16-14-17-23(21-22)36-5)24-18-15-20-31-27(24)33(4)28(26)34/h14-18,20-21H,6-13,19H2,1-5H3,(H,32,35)
InChIKeyMQJIQOLQROWULY-UHFFFAOYSA-N
MW491.68 g/mol
LogP7.10
Rot. Bonds13

About N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide

N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide (PubChem CID 22106238) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide
PubChem CID22106238
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC NameN-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide
SMILESCCCCCCCCCCC(C)(C)C(=O)Nc1c(-c2cccc(OC)c2)c2cccnc2n(C)c1=O
InChIInChI=1S/C30H41N3O3/c1-6-7-8-9-10-11-12-13-19-30(2,3)29(35)32-26-25(22-16-14-17-23(21-22)36-5)24-18-15-20-31-27(24)33(4)28(26)34/h14-18,20-21H,6-13,19H2,1-5H3,(H,32,35)
InChIKeyMQJIQOLQROWULY-UHFFFAOYSA-N
XLogP7.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide?
The IUPAC name of N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide (CID 22106238) is N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide is CCCCCCCCCCC(C)(C)C(=O)Nc1c(-c2cccc(OC)c2)c2cccnc2n(C)c1=O.
What is the InChIKey of N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide?
The InChIKey is MQJIQOLQROWULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3/c1-6-7-8-9-10-11-12-13-19-30(2,3)29(35)32-26-25(22-16-14-17-23(21-22)36-5)24-18-15-20-31-27(24)33(4)28(26)34/h14-18,20-21H,6-13,19H2,1-5H3,(H,32,35).
What are the key properties of N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide?
N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide has a molecular weight of 491.68 g/mol, XLogP of 7.10, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide is sourced from PubChem (CID 22106238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).