[[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate

C23H16N2O2 — CID 1341620

IUPAC[[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate
SMILESO=C(ON=C(c1ccccc1)c1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C23H16N2O2/c26-23(20-14-8-12-17-9-4-5-13-19(17)20)27-25-22(18-10-2-1-3-11-18)21-15-6-7-16-24-21/h1-16H
InChIKeySEZNZZNGJOKCKO-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.84
Rot. Bonds4

About [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate

[[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate (PubChem CID 1341620) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate
PubChem CID1341620
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name[[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate
SMILESO=C(ON=C(c1ccccc1)c1ccccn1)c1cccc2ccccc12
InChIInChI=1S/C23H16N2O2/c26-23(20-14-8-12-17-9-4-5-13-19(17)20)27-25-22(18-10-2-1-3-11-18)21-15-6-7-16-24-21/h1-16H
InChIKeySEZNZZNGJOKCKO-UHFFFAOYSA-N
XLogP4.84
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

S9947
CID 656730
3-(Pyridin-3-yl)benzoic acid
CID 2795575
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
3,5-Di(Pyridin-4-Yl)benzoic Acid
CID 46316420
N'-[(naphthalen-1-ylcarbonyl)oxy]pyridine-2-carboximidamide
CID 9600644
AMPD2 inhibitor 1
CID 91970654
Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester
CID 319767
4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671
4-[7,7,10,10-Tetramethyl-1-(pyridin-4-ylmethyl)-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl]benzoic acid
CID 10097116
6-[1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-vinyl]-nicotinic acid
CID 10360455
[6,6''-Dimethyl-2''-(2-pyridin-2-yl-ethylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11827109
5-(Pyridin-4-yl)-1-naphthoic Acid
CID 22118910

Frequently Asked Questions

What is the IUPAC name of [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate?
The IUPAC name of [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate (CID 1341620) is [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate.
What is the SMILES notation for [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate?
The canonical SMILES for [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate is O=C(ON=C(c1ccccc1)c1ccccn1)c1cccc2ccccc12.
What is the InChIKey of [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate?
The InChIKey is SEZNZZNGJOKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-23(20-14-8-12-17-9-4-5-13-19(17)20)27-25-22(18-10-2-1-3-11-18)21-15-6-7-16-24-21/h1-16H.
What are the key properties of [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate?
[[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[phenyl(pyridin-2-yl)methylidene]amino] naphthalene-1-carboxylate is sourced from PubChem (CID 1341620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).