N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine

C15H17N3O3 — CID 104663109

IUPACN-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
SMILESCCCOc1ccccc1-c1nc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-3-10-21-13-7-5-4-6-11(13)15-12(18(19)20)8-9-14(16-2)17-15/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyOITLOWOHZHLRMV-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.49
Rot. Bonds6

About N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine

N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine (PubChem CID 104663109) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
PubChem CID104663109
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
SMILESCCCOc1ccccc1-c1nc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-3-10-21-13-7-5-4-6-11(13)15-12(18(19)20)8-9-14(16-2)17-15/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyOITLOWOHZHLRMV-UHFFFAOYSA-N
XLogP3.49
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663163
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
2-[[6-(methylamino)-3-nitro-2-pyridinyl]oxy]benzamide
CID 80865429
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503043
6-(1-benzofuran-2-yl)-N-methyl-5-nitropyridin-2-amine
CID 114734495
2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide
CID 175659166
4-(bromomethyl)-1-nitro-2-propoxybenzene
CID 62114866
N-(2-ethoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80911491
4-bromo-2-nitro-1-propoxybenzene
CID 61373992
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
CID 175178315

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
The IUPAC name of N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine (CID 104663109) is N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine is CCCOc1ccccc1-c1nc(NC)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
The InChIKey is OITLOWOHZHLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-10-21-13-7-5-4-6-11(13)15-12(18(19)20)8-9-14(16-2)17-15/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 104663109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).