N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide

C19H16N4O — CID 135645713

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C19H16N4O/c1-12-6-7-16-13(8-12)9-18(22-16)19(24)23-21-11-14-10-20-17-5-3-2-4-15(14)17/h2-11,20,22H,1H3,(H,23,24)/b21-11+
InChIKeyMZTQZCBSEXTUGH-SRZZPIQSSA-N
MW316.36 g/mol
LogP3.72
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide (PubChem CID 135645713) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide
PubChem CID135645713
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2c1
InChIInChI=1S/C19H16N4O/c1-12-6-7-16-13(8-12)9-18(22-16)19(24)23-21-11-14-10-20-17-5-3-2-4-15(14)17/h2-11,20,22H,1H3,(H,23,24)/b21-11+
InChIKeyMZTQZCBSEXTUGH-SRZZPIQSSA-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'}

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135795104
N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135957370
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 137054711
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 136612344
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
CID 135446585
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide (CID 135645713) is N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2c1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is MZTQZCBSEXTUGH-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12-6-7-16-13(8-12)9-18(22-16)19(24)23-21-11-14-10-20-17-5-3-2-4-15(14)17/h2-11,20,22H,1H3,(H,23,24)/b21-11+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-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-[(E)-1H-indol-3-ylmethylideneamino]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 135645713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).