N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide

C19H17N3O — CID 840700

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
SMILESO=C(NN=C1CCCc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O/c23-19(16-12-20-17-10-4-3-9-15(16)17)22-21-18-11-5-7-13-6-1-2-8-14(13)18/h1-4,6,8-10,12,20H,5,7,11H2,(H,22,23)
InChIKeyLQDPLSSLDPCZAU-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.64
Rot. Bonds2

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide (PubChem CID 840700) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
PubChem CID840700
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
SMILESO=C(NN=C1CCCc2ccccc21)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O/c23-19(16-12-20-17-10-4-3-9-15(16)17)22-21-18-11-5-7-13-6-1-2-8-14(13)18/h1-4,6,8-10,12,20H,5,7,11H2,(H,22,23)
InChIKeyLQDPLSSLDPCZAU-UHFFFAOYSA-N
XLogP3.64
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 6536301
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
CID 5142375
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-5-propan-2-ylthiophene-3-carboxamide
CID 27493701
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxy-2-phenylacetamide
CID 2851357
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide (CID 840700) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide is O=C(NN=C1CCCc2ccccc21)c1c[nH]c2ccccc12.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide?
The InChIKey is LQDPLSSLDPCZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-19(16-12-20-17-10-4-3-9-15(16)17)22-21-18-11-5-7-13-6-1-2-8-14(13)18/h1-4,6,8-10,12,20H,5,7,11H2,(H,22,23).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 840700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).