N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine

C14H11N5O2 — CID 135549675

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)nc1
InChIInChI=1S/C14H11N5O2/c20-19(21)11-5-6-14(16-9-11)18-17-8-10-7-15-13-4-2-1-3-12(10)13/h1-9,15H,(H,16,18)/b17-8+
InChIKeyASOLXQKEDDZDAW-CAOOACKPSA-N
MW281.28 g/mol
LogP2.92
Rot. Bonds4

About N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine

N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine (PubChem CID 135549675) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
PubChem CID135549675
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)nc1
InChIInChI=1S/C14H11N5O2/c20-19(21)11-5-6-14(16-9-11)18-17-8-10-7-15-13-4-2-1-3-12(10)13/h1-9,15H,(H,16,18)/b17-8+
InChIKeyASOLXQKEDDZDAW-CAOOACKPSA-N
XLogP2.92
TPSA96.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-2,4-dinitroaniline
CID 135411855
5-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridin-2-amine
CID 135810238
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-5-nitropyridin-2-amine
CID 21374211
N-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]-5-nitropyridin-2-amine
CID 3729141
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468
2-N-(1H-indol-3-ylmethylideneamino)-4-N-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 136832231
5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 172990751
N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-nitropyridin-2-amine
CID 3600919
5-nitro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50854673

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine (CID 135549675) is N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)nc1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine?
The InChIKey is ASOLXQKEDDZDAW-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-19(21)11-5-6-14(16-9-11)18-17-8-10-7-15-13-4-2-1-3-12(10)13/h1-9,15H,(H,16,18)/b17-8+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine?
N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-5-nitropyridin-2-amine is sourced from PubChem (CID 135549675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).