N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide

C23H17N3O — CID 126184329

IUPACN-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
SMILESC#CCn1cc(/C=N\NC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H17N3O/c1-2-14-26-16-18(20-11-5-6-13-22(20)26)15-24-25-23(27)21-12-7-9-17-8-3-4-10-19(17)21/h1,3-13,15-16H,14H2,(H,25,27)/b24-15-
InChIKeyGCJQSXQOROPSAC-IWIPYMOSSA-N
MW351.41 g/mol
LogP4.19
Rot. Bonds4

About N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide

N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 126184329) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID126184329
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC NameN-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
SMILESC#CCn1cc(/C=N\NC(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H17N3O/c1-2-14-26-16-18(20-11-5-6-13-22(20)26)15-24-25-23(27)21-12-7-9-17-8-3-4-10-19(17)21/h1,3-13,15-16H,14H2,(H,25,27)/b24-15-
InChIKeyGCJQSXQOROPSAC-IWIPYMOSSA-N
XLogP4.19
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 126378231
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126364361
2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126395143
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 3429535
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 21370421
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]-N-[(1-prop-2-ynylindol-3-yl)methylideneamino]furan-2-carboxamide
CID 3880892
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide (CID 126184329) is N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide is C#CCn1cc(/C=N\NC(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is GCJQSXQOROPSAC-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-14-26-16-18(20-11-5-6-13-22(20)26)15-24-25-23(27)21-12-7-9-17-8-3-4-10-19(17)21/h1,3-13,15-16H,14H2,(H,25,27)/b24-15-.
What are the key properties of N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide?
N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 126184329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).