N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine

C9H11N3O2 — CID 114617697

IUPACN-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
SMILESC=C(C)CNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O2/c1-7(2)5-11-8-3-4-10-6-9(8)12(13)14/h3-4,6H,1,5H2,2H3,(H,10,11)
InChIKeyFQPIOGCGVZEEDR-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.98
Rot. Bonds4

About N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine

N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine (PubChem CID 114617697) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
PubChem CID114617697
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
SMILESC=C(C)CNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O2/c1-7(2)5-11-8-3-4-10-6-9(8)12(13)14/h3-4,6H,1,5H2,2H3,(H,10,11)
InChIKeyFQPIOGCGVZEEDR-UHFFFAOYSA-N
XLogP1.98
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
CID 115637264
2-[(3-nitro-4-pyridinyl)amino]-1-phenylethanone
CID 91754130
1,1-difluoro-3-[(3-nitro-4-pyridinyl)amino]propan-2-ol
CID 103731329
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N'-(3-nitro-4-pyridinyl)acetohydrazide
CID 3851780
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
N-(2-butoxyethyl)-3-nitropyridin-4-amine
CID 61175883
N-(3-nitro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28889726
N-methyl-2-[(3-nitro-4-pyridinyl)amino]ethanesulfonamide
CID 114175321
N-(5-methylhexyl)-3-nitropyridin-4-amine
CID 79003361

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine (CID 114617697) is N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine is C=C(C)CNc1ccncc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine?
The InChIKey is FQPIOGCGVZEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(2)5-11-8-3-4-10-6-9(8)12(13)14/h3-4,6H,1,5H2,2H3,(H,10,11).
What are the key properties of N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine?
N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine has a molecular weight of 193.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 114617697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).