N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine

C10H13N3O2 — CID 103724988

IUPACN-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
SMILESCC1(CNc2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C10H13N3O2/c1-10(4-5-10)7-12-8-2-3-9(11-6-8)13(14)15/h2-3,6,12H,4-5,7H2,1H3
InChIKeyLMESLAAWTJYFEE-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.20
Rot. Bonds4

About N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine

N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine (PubChem CID 103724988) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
PubChem CID103724988
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
SMILESCC1(CNc2ccc([N+](=O)[O-])nc2)CC1
InChIInChI=1S/C10H13N3O2/c1-10(4-5-10)7-12-8-2-3-9(11-6-8)13(14)15/h2-3,6,12H,4-5,7H2,1H3
InChIKeyLMESLAAWTJYFEE-UHFFFAOYSA-N
XLogP2.20
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.20
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-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine
CID 79362326
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 78993003
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
N-benzyl-6-nitropyridin-3-amine
CID 55024435
N-(2,3-dimethyloxolan-3-yl)-6-nitropyridin-3-amine
CID 114096364
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
CID 63730786
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-nitropyridin-3-amine
CID 63897277

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine (CID 103724988) is N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine is CC1(CNc2ccc([N+](=O)[O-])nc2)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine?
The InChIKey is LMESLAAWTJYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-10(4-5-10)7-12-8-2-3-9(11-6-8)13(14)15/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine?
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine has a molecular weight of 207.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 103724988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).