N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine

C28H26N6O3 — CID 144674994

IUPACN-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine
SMILESCC(=O)NCc1cc(-c2ccc(-c3ccc(-c4cc(C=O)c5cnccc5n4)cc3)cc2)no1.CNN
InChIInChI=1S/C27H20N4O3.CH6N2/c1-17(33)29-14-23-13-27(31-34-23)21-8-4-19(5-9-21)18-2-6-20(7-3-18)26-12-22(16-32)24-15-28-11-10-25(24)30-26;1-3-2/h2-13,15-16H,14H2,1H3,(H,29,33);3H,2H2,1H3
InChIKeyUACJTWAAJZGBOM-UHFFFAOYSA-N
MW494.56 g/mol
LogP4.15
Rot. Bonds6

About N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine

N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine (PubChem CID 144674994) has the molecular formula C28H26N6O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine.

Molecular Properties

Compound NameN-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine
PubChem CID144674994
Molecular FormulaC28H26N6O3
Molecular Weight494.56 g/mol
Exact Mass494.21
IUPAC NameN-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine
SMILESCC(=O)NCc1cc(-c2ccc(-c3ccc(-c4cc(C=O)c5cnccc5n4)cc3)cc2)no1.CNN
InChIInChI=1S/C27H20N4O3.CH6N2/c1-17(33)29-14-23-13-27(31-34-23)21-8-4-19(5-9-21)18-2-6-20(7-3-18)26-12-22(16-32)24-15-28-11-10-25(24)30-26;1-3-2/h2-13,15-16H,14H2,1H3,(H,29,33);3H,2H2,1H3
InChIKeyUACJTWAAJZGBOM-UHFFFAOYSA-N
XLogP4.15
TPSA136.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[5-(2-formylpiperidine-1-carbonyl)-1,2-oxazol-3-yl]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide;methanol
CID 144675128
CID 159237171
CID 159237171
ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
CID 144675088
acetaldehyde;2-[4-[4-[3-(methylamino)propoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbohydrazide
CID 144674882
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
1-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 118558363
2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
CID 46987595
2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde
CID 144675061
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
N-[2-[2-(4-bromophenyl)-1,6-naphthyridin-4-yl]-2-oxoethyl]methanesulfonamide
CID 161000215
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine?
The IUPAC name of N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine (CID 144674994) is N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine.
What is the SMILES notation for N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine?
The canonical SMILES for N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine is CC(=O)NCc1cc(-c2ccc(-c3ccc(-c4cc(C=O)c5cnccc5n4)cc3)cc2)no1.CNN.
What is the InChIKey of N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine?
The InChIKey is UACJTWAAJZGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O3.CH6N2/c1-17(33)29-14-23-13-27(31-34-23)21-8-4-19(5-9-21)18-2-6-20(7-3-18)26-12-22(16-32)24-15-28-11-10-25(24)30-26;1-3-2/h2-13,15-16H,14H2,1H3,(H,29,33);3H,2H2,1H3.
What are the key properties of N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine?
N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine has a molecular weight of 494.56 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenyl]-1,2-oxazol-5-yl]methyl]acetamide;methylhydrazine is sourced from PubChem (CID 144674994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).