3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide

C34H26N2O4 — CID 5082580

IUPAC3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cccc2c(NC(=O)c3cc4ccccc4cc3OC)cccc12
InChIInChI=1S/C34H26N2O4/c1-39-31-19-23-11-5-3-9-21(23)17-27(31)33(37)35-29-15-7-14-26-25(29)13-8-16-30(26)36-34(38)28-18-22-10-4-6-12-24(22)20-32(28)40-2/h3-20H,1-2H3,(H,35,37)(H,36,38)
InChIKeyCVYKYIJTBNFDJC-UHFFFAOYSA-N
MW526.59 g/mol
LogP7.67
Rot. Bonds6

About 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide

3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide (PubChem CID 5082580) has the molecular formula C34H26N2O4 and a molecular weight of 526.59 g/mol. Its IUPAC name is 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
PubChem CID5082580
Molecular FormulaC34H26N2O4
Molecular Weight526.59 g/mol
Exact Mass526.19
IUPAC Name3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cccc2c(NC(=O)c3cc4ccccc4cc3OC)cccc12
InChIInChI=1S/C34H26N2O4/c1-39-31-19-23-11-5-3-9-21(23)17-27(31)33(37)35-29-15-7-14-26-25(29)13-8-16-30(26)36-34(38)28-18-22-10-4-6-12-24(22)20-32(28)40-2/h3-20H,1-2H3,(H,35,37)(H,36,38)
InChIKeyCVYKYIJTBNFDJC-UHFFFAOYSA-N
XLogP7.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.59
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
3-methoxy-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-2-carboxamide
CID 92674914
N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 802722
methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methoxynaphthalene-2-carboxamide
CID 1343934
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
2-amino-4-methoxy-N-naphthalen-1-ylbenzamide
CID 82546437
N-(2,3-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(2-phenoxyphenyl)naphthalene-2-carboxamide
CID 158102212

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide (CID 5082580) is 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cccc2c(NC(=O)c3cc4ccccc4cc3OC)cccc12.
What is the InChIKey of 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide?
The InChIKey is CVYKYIJTBNFDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O4/c1-39-31-19-23-11-5-3-9-21(23)17-27(31)33(37)35-29-15-7-14-26-25(29)13-8-16-30(26)36-34(38)28-18-22-10-4-6-12-24(22)20-32(28)40-2/h3-20H,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide?
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide has a molecular weight of 526.59 g/mol, XLogP of 7.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 5082580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).