N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide

C20H18N4O — CID 89318821

IUPACN-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide
SMILESC=C(N/N=N/C)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18N4O/c1-14(23-24-21-2)16-8-5-9-19(13-16)22-20(25)18-11-10-15-6-3-4-7-17(15)12-18/h3-13H,1H2,2H3,(H,21,23)(H,22,25)
InChIKeyLDYYDAGGEJFQMF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.65
Rot. Bonds5

About N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide

N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide (PubChem CID 89318821) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide
PubChem CID89318821
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide
SMILESC=C(N/N=N/C)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H18N4O/c1-14(23-24-21-2)16-8-5-9-19(13-16)22-20(25)18-11-10-15-6-3-4-7-17(15)12-18/h3-13H,1H2,2H3,(H,21,23)(H,22,25)
InChIKeyLDYYDAGGEJFQMF-UHFFFAOYSA-N
XLogP4.65
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 91266740
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
methyl 3-(naphthalen-2-ylcarbamoyl)benzoate
CID 17232043
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide (CID 89318821) is N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide is C=C(N/N=N/C)c1cccc(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is LDYYDAGGEJFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14(23-24-21-2)16-8-5-9-19(13-16)22-20(25)18-11-10-15-6-3-4-7-17(15)12-18/h3-13H,1H2,2H3,(H,21,23)(H,22,25).
What are the key properties of N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide?
N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methyliminohydrazinyl)ethenyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 89318821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).