2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide

C16H14N6O3 — CID 6053928

IUPAC2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C16H14N6O3/c17-15(23)10-21-9-11(12-4-1-2-5-13(12)21)8-19-20-16-14(22(24)25)6-3-7-18-16/h1-9H,10H2,(H2,17,23)(H,18,20)/b19-8-
InChIKeyBBDXOFXGVBUOIW-UWVJOHFNSA-N
MW338.33 g/mol
LogP1.88
Rot. Bonds6

About 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide

2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide (PubChem CID 6053928) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide
PubChem CID6053928
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C16H14N6O3/c17-15(23)10-21-9-11(12-4-1-2-5-13(12)21)8-19-20-16-14(22(24)25)6-3-7-18-16/h1-9H,10H2,(H2,17,23)(H,18,20)/b19-8-
InChIKeyBBDXOFXGVBUOIW-UWVJOHFNSA-N
XLogP1.88
TPSA128.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
CID 126106352
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126103928
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126101162
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
3-nitro-N-[(Z)-(1-propan-2-ylpyrrol-3-yl)methylideneamino]pyridin-2-amine
CID 50853900
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
4-N-[(E)-(2-nitrophenyl)methylideneamino]-1-N-[(Z)-(2-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 92534203
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide (CID 6053928) is 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide is NC(=O)Cn1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide?
The InChIKey is BBDXOFXGVBUOIW-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H14N6O3/c17-15(23)10-21-9-11(12-4-1-2-5-13(12)21)8-19-20-16-14(22(24)25)6-3-7-18-16/h1-9H,10H2,(H2,17,23)(H,18,20)/b19-8-.
What are the key properties of 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide?
2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide has a molecular weight of 338.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 6053928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).