N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide

C25H17N3O3 — CID 45110261

IUPACN-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)c3ccccc13)C2=O
InChIInChI=1S/C25H17N3O3/c1-15-7-6-10-18-22(15)25(31)28(24(18)30)21-13-12-19(16-8-2-3-9-17(16)21)27-23(29)20-11-4-5-14-26-20/h2-14H,1H3,(H,27,29)
InChIKeyWFQDQEABVXCVMD-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.60
Rot. Bonds3

About N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide

N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide (PubChem CID 45110261) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide
PubChem CID45110261
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide
SMILESCc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)c3ccccc13)C2=O
InChIInChI=1S/C25H17N3O3/c1-15-7-6-10-18-22(15)25(31)28(24(18)30)21-13-12-19(16-8-2-3-9-17(16)21)27-23(29)20-11-4-5-14-26-20/h2-14H,1H3,(H,27,29)
InChIKeyWFQDQEABVXCVMD-UHFFFAOYSA-N
XLogP4.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]furan-2-carboxamide
CID 122196120
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-[5-chloro-2-iodo-4-(5-iodo-4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 45110508
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]-1-methylimidazole-2-carboxamide
CID 127025845
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide (CID 45110261) is N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide is Cc1cccc2c1C(=O)N(c1ccc(NC(=O)c3ccccn3)c3ccccc13)C2=O.
What is the InChIKey of N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide?
The InChIKey is WFQDQEABVXCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c1-15-7-6-10-18-22(15)25(31)28(24(18)30)21-13-12-19(16-8-2-3-9-17(16)21)27-23(29)20-11-4-5-14-26-20/h2-14H,1H3,(H,27,29).
What are the key properties of N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide?
N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-dioxoisoindol-2-yl)naphthalen-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 45110261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).