N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine

C9H10N4O4 — CID 22181365

IUPACN-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NCC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N4O4/c14-12(15)7-3-8(13(16)17)9(11-5-7)10-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyIUYVMMQIZMENLB-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.72
Rot. Bonds5

About N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine

N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine (PubChem CID 22181365) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
PubChem CID22181365
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC NameN-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NCC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N4O4/c14-12(15)7-3-8(13(16)17)9(11-5-7)10-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,10,11)
InChIKeyIUYVMMQIZMENLB-UHFFFAOYSA-N
XLogP1.72
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.72
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'}

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Related Compounds

3-fluoro-5-nitro-N-(thian-4-ylmethyl)pyridin-2-amine
CID 122152938
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-(cyclohexylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438306
6-[[4-(hydroxymethyl)cyclohexyl]methylamino]-5-nitropyridine-3-sulfonamide
CID 168730201
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
5-ethylsulfonyl-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 68871306
3,5-dinitro-N-octadecylpyridin-2-amine
CID 22155759
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
CID 62476863
5-chloro-3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 71008237
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
N-[(4-methylcyclohexyl)methyl]-5-nitropyrimidin-2-amine
CID 63243364

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine (CID 22181365) is N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine is O=[N+]([O-])c1cnc(NCC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine?
The InChIKey is IUYVMMQIZMENLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c14-12(15)7-3-8(13(16)17)9(11-5-7)10-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,10,11).
What are the key properties of N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine?
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine has a molecular weight of 238.20 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine is sourced from PubChem (CID 22181365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).