N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide

C19H16N4O — CID 136732453

IUPACN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C19H16N4O/c1-12-16(14-6-2-3-8-17(14)22-12)11-21-23-19(24)15-7-4-5-13-9-10-20-18(13)15/h2-11,20,22H,1H3,(H,23,24)/b21-11-
InChIKeyKIFXFWDQNUTWAA-NHDPSOOVSA-N
MW316.36 g/mol
LogP3.72
Rot. Bonds3

About N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide (PubChem CID 136732453) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
PubChem CID136732453
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C19H16N4O/c1-12-16(14-6-2-3-8-17(14)22-12)11-21-23-19(24)15-7-4-5-13-9-10-20-18(13)15/h2-11,20,22H,1H3,(H,23,24)/b21-11-
InChIKeyKIFXFWDQNUTWAA-NHDPSOOVSA-N
XLogP3.72
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.72
H-Bond Donors ≤ 53
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-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide
CID 135615472
3-hydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135490389
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 2328373
2,8-dimethyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]quinoline-3-carboxamide
CID 135435758
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-nitrobenzamide
CID 136899350
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
2,4-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135421610
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 136852027
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 136919028
N-(furan-2-ylmethylideneamino)-1H-indole-7-carboxamide
CID 934241
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135421558

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide?
The IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide (CID 136732453) is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide?
The InChIKey is KIFXFWDQNUTWAA-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-16(14-6-2-3-8-17(14)22-12)11-21-23-19(24)15-7-4-5-13-9-10-20-18(13)15/h2-11,20,22H,1H3,(H,23,24)/b21-11-.
What are the key properties of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide?
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-indole-7-carboxamide is sourced from PubChem (CID 136732453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).