N-cyclopropyl-5-methyl-3-nitropyridin-2-amine

C9H11N3O2 — CID 46738807

IUPACN-cyclopropyl-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O2/c1-6-4-8(12(13)14)9(10-5-6)11-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,10,11)
InChIKeyRYYZDVJHHQGCAS-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.87
Rot. Bonds3

About N-cyclopropyl-5-methyl-3-nitropyridin-2-amine

N-cyclopropyl-5-methyl-3-nitropyridin-2-amine (PubChem CID 46738807) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-3-nitropyridin-2-amine
PubChem CID46738807
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-cyclopropyl-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC2CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O2/c1-6-4-8(12(13)14)9(10-5-6)11-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,10,11)
InChIKeyRYYZDVJHHQGCAS-UHFFFAOYSA-N
XLogP1.87
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 66279180
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
CID 115880998
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 104695809
5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 66280270
4-N-(5-bromo-3-nitro-2-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 79110639
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
CID 103863939
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
[4-[(5-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]carbamic acid
CID 170347516
5-bromo-N-(4-methoxycyclohexyl)-3-nitropyridin-2-amine
CID 175928586

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-cyclopropyl-5-methyl-3-nitropyridin-2-amine (CID 46738807) is N-cyclopropyl-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-cyclopropyl-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NC2CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-5-methyl-3-nitropyridin-2-amine?
The InChIKey is RYYZDVJHHQGCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-8(12(13)14)9(10-5-6)11-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,10,11).
What are the key properties of N-cyclopropyl-5-methyl-3-nitropyridin-2-amine?
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine has a molecular weight of 193.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 46738807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).