3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile

C10H13N5O2 — CID 80753426

IUPAC3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
SMILESCNc1ccc([N+](=O)[O-])c(N(C)CCC#N)n1
InChIInChI=1S/C10H13N5O2/c1-12-9-5-4-8(15(16)17)10(13-9)14(2)7-3-6-11/h4-5H,3,7H2,1-2H3,(H,12,13)
InChIKeyFZZGLVDTYBJKMF-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.38
Rot. Bonds5

About 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile

3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile (PubChem CID 80753426) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
PubChem CID80753426
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
SMILESCNc1ccc([N+](=O)[O-])c(N(C)CCC#N)n1
InChIInChI=1S/C10H13N5O2/c1-12-9-5-4-8(15(16)17)10(13-9)14(2)7-3-6-11/h4-5H,3,7H2,1-2H3,(H,12,13)
InChIKeyFZZGLVDTYBJKMF-UHFFFAOYSA-N
XLogP1.38
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile 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

3-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]propanenitrile
CID 81132027
2-N-[(4-bromophenyl)methyl]-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80777619
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 80810495
2-N,6-N-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80812701
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 71523739
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80834593
6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
CID 80929654
N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
CID 80806509
3-[(6-methyl-3-nitro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 81132260
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile (CID 80753426) is 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile is CNc1ccc([N+](=O)[O-])c(N(C)CCC#N)n1.
What is the InChIKey of 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile?
The InChIKey is FZZGLVDTYBJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-12-9-5-4-8(15(16)17)10(13-9)14(2)7-3-6-11/h4-5H,3,7H2,1-2H3,(H,12,13).
What are the key properties of 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile?
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile has a molecular weight of 235.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile is sourced from PubChem (CID 80753426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).