N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide

C17H15N3O — CID 5410905

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H15N3O/c1-12-6-8-13(9-7-12)10-19-20-17(21)15-11-18-16-5-3-2-4-14(15)16/h2-11,18H,1H3,(H,20,21)/b19-10-
InChIKeyMLDNNESUURFYHR-GRSHGNNSSA-N
MW277.33 g/mol
LogP3.24
Rot. Bonds3

About N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5410905) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5410905
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H15N3O/c1-12-6-8-13(9-7-12)10-19-20-17(21)15-11-18-16-5-3-2-4-14(15)16/h2-11,18H,1H3,(H,20,21)/b19-10-
InChIKeyMLDNNESUURFYHR-GRSHGNNSSA-N
XLogP3.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.24
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-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329565
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
8-fluoro-N-[(E)-(4-methylphenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127051489
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2172304
N-[(E)-(4-methylphenyl)methylideneamino]-1-benzofuran-3-carboxamide
CID 57395656

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 5410905) is N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide is Cc1ccc(/C=N\NC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is MLDNNESUURFYHR-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-8-13(9-7-12)10-19-20-17(21)15-11-18-16-5-3-2-4-14(15)16/h2-11,18H,1H3,(H,20,21)/b19-10-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5410905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).