3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide

C23H18N4O4 — CID 5133184

IUPAC3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1cccn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H18N4O4/c1-31-22-13-17-7-3-2-6-16(17)12-21(22)23(28)25-24-15-20-10-5-11-26(20)18-8-4-9-19(14-18)27(29)30/h2-15H,1H3,(H,25,28)
InChIKeySGNUIIIKAPGEBY-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.31
Rot. Bonds6

About 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide

3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 5133184) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
PubChem CID5133184
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NN=Cc1cccn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H18N4O4/c1-31-22-13-17-7-3-2-6-16(17)12-21(22)23(28)25-24-15-20-10-5-11-26(20)18-8-4-9-19(14-18)27(29)30/h2-15H,1H3,(H,25,28)
InChIKeySGNUIIIKAPGEBY-UHFFFAOYSA-N
XLogP4.31
TPSA98.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 4685961
4-acetamido-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 3894986
2-chloro-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
CID 4045024
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168358
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 5457641
3-hydroxy-N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 3642162
N-[(Z)-(2-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137083503
N-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137045197
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
N-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
N-[(Z)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]-7-methoxy-5-nitro-1-benzofuran-2-carboxamide
CID 126017896

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide (CID 5133184) is 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NN=Cc1cccn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is SGNUIIIKAPGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c1-31-22-13-17-7-3-2-6-16(17)12-21(22)23(28)25-24-15-20-10-5-11-26(20)18-8-4-9-19(14-18)27(29)30/h2-15H,1H3,(H,25,28).
What are the key properties of 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide?
3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(3-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5133184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).