N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide

C20H15N3O2 — CID 175137572

IUPACN-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1cc2ccccc2cc1O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H15N3O2/c24-19-11-14-6-2-1-5-13(14)9-16(19)12-21-23-20(25)18-10-15-7-3-4-8-17(15)22-18/h1-12,22,24H,(H,23,25)
InChIKeyHIRGUXAKKNFPRJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.79
Rot. Bonds3

About N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide

N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 175137572) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID175137572
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(NN=Cc1cc2ccccc2cc1O)c1cc2ccccc2[nH]1
InChIInChI=1S/C20H15N3O2/c24-19-11-14-6-2-1-5-13(14)9-16(19)12-21-23-20(25)18-10-15-7-3-4-8-17(15)22-18/h1-12,22,24H,(H,23,25)
InChIKeyHIRGUXAKKNFPRJ-UHFFFAOYSA-N
XLogP3.79
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137014970
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
5-chloro-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137279395
3,5-ditert-butyl-4-hydroxy-N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135437725
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide
CID 135645713
4-methoxy-N-[(Z)-(2-sulfanylidene-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135801100
2-iodo-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135615366
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 136792678
4,5-dibromo-N-[(2-hydroxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 152771822
3-methoxy-N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 135685127
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide (CID 175137572) is N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide is O=C(NN=Cc1cc2ccccc2cc1O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is HIRGUXAKKNFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-11-14-6-2-1-5-13(14)9-16(19)12-21-23-20(25)18-10-15-7-3-4-8-17(15)22-18/h1-12,22,24H,(H,23,25).
What are the key properties of N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide?
N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxynaphthalen-2-yl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 175137572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).