5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide

C15H11ClN4O — CID 134612400

IUPAC5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H11ClN4O/c16-12-3-4-13-11(6-12)7-14(19-13)15(21)20-18-9-10-2-1-5-17-8-10/h1-9,19H,(H,20,21)/b18-9+
InChIKeyPMGCEBPHPQJXKV-GIJQJNRQSA-N
MW298.73 g/mol
LogP2.98
Rot. Bonds3

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

5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide (PubChem CID 134612400) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide
PubChem CID134612400
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H11ClN4O/c16-12-3-4-13-11(6-12)7-14(19-13)15(21)20-18-9-10-2-1-5-17-8-10/h1-9,19H,(H,20,21)/b18-9+
InChIKeyPMGCEBPHPQJXKV-GIJQJNRQSA-N
XLogP2.98
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-chloro-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137279395
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide
CID 3532877
4-chloro-1,3-dimethyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrazole-5-carboxamide
CID 5410829

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide (CID 134612400) is 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1cccnc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide?
The InChIKey is PMGCEBPHPQJXKV-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-3-4-13-11(6-12)7-14(19-13)15(21)20-18-9-10-2-1-5-17-8-10/h1-9,19H,(H,20,21)/b18-9+.
What are the key properties of 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide?
5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 134612400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).