3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide

C27H23N7O2 — CID 135606906

IUPAC3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C27H23N7O2/c1-16-22(26(35)33-30-14-18-12-28-24-9-5-3-7-20(18)24)11-23(17(2)32-16)27(36)34-31-15-19-13-29-25-10-6-4-8-21(19)25/h3-15,28-29H,1-2H3,(H,33,35)(H,34,36)/b30-14+,31-15+
InChIKeyMGIINBBXZARPDH-WCZMLVOGSA-N
MW477.53 g/mol
LogP4.19
Rot. Bonds6

About 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide

3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (PubChem CID 135606906) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
PubChem CID135606906
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC Name3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C27H23N7O2/c1-16-22(26(35)33-30-14-18-12-28-24-9-5-3-7-20(18)24)11-23(17(2)32-16)27(36)34-31-15-19-13-29-25-10-6-4-8-21(19)25/h3-15,28-29H,1-2H3,(H,33,35)(H,34,36)/b30-14+,31-15+
InChIKeyMGIINBBXZARPDH-WCZMLVOGSA-N
XLogP4.19
TPSA127.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide with MolForge

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-[(Z)-1H-indol-3-ylmethylideneamino]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 136914820
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
CID 135647349
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (CID 135606906) is 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is Cc1nc(C)c(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is MGIINBBXZARPDH-WCZMLVOGSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-16-22(26(35)33-30-14-18-12-28-24-9-5-3-7-20(18)24)11-23(17(2)32-16)27(36)34-31-15-19-13-29-25-10-6-4-8-21(19)25/h3-15,28-29H,1-2H3,(H,33,35)(H,34,36)/b30-14+,31-15+.
What are the key properties of 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 477.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 135606906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).