6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine

C13H19N3O2 — CID 113260898

IUPAC6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-9(2)13(6-7-13)8-14-12-11(16(17)18)5-4-10(3)15-12/h4-5,9H,6-8H2,1-3H3,(H,14,15)
InChIKeyBNPAQDSBGBANRL-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.15
Rot. Bonds5

About 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine

6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 113260898) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
PubChem CID113260898
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCC2(C(C)C)CC2)n1
InChIInChI=1S/C13H19N3O2/c1-9(2)13(6-7-13)8-14-12-11(16(17)18)5-4-10(3)15-12/h4-5,9H,6-8H2,1-3H3,(H,14,15)
InChIKeyBNPAQDSBGBANRL-UHFFFAOYSA-N
XLogP3.15
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.15
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

1-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312206
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
CID 81135916
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine (CID 113260898) is 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCC2(C(C)C)CC2)n1.
What is the InChIKey of 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is BNPAQDSBGBANRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)13(6-7-13)8-14-12-11(16(17)18)5-4-10(3)15-12/h4-5,9H,6-8H2,1-3H3,(H,14,15).
What are the key properties of 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 113260898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).