N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine

C13H20N4O3 — CID 83290506

IUPACN-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine
SMILESCC(C)CNc1nc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-10(2)9-14-13-11(17(18)19)3-4-12(15-13)16-5-7-20-8-6-16/h3-4,10H,5-9H2,1-2H3,(H,14,15)
InChIKeySCAILDDFEOEWPQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds5

About N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine

N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine (PubChem CID 83290506) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine
PubChem CID83290506
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine
SMILESCC(C)CNc1nc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-10(2)9-14-13-11(17(18)19)3-4-12(15-13)16-5-7-20-8-6-16/h3-4,10H,5-9H2,1-2H3,(H,14,15)
InChIKeySCAILDDFEOEWPQ-UHFFFAOYSA-N
XLogP1.89
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
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

6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 110172016
4-(5-nitro-6-phenyl-2-pyridinyl)morpholine
CID 133407232
6-(4-benzylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 110172010
1-[6-(2-morpholin-4-ylanilino)-5-nitro-2-pyridinyl]piperidin-4-ol
CID 142663869
2-[(3-nitro-6-piperidin-1-yl-2-pyridinyl)amino]ethyl acetate
CID 110173650
4-(2-nitro-5-propan-2-ylphenyl)morpholine
CID 155136667
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035
2-methyl-N-(4-methyl-2-nitrophenyl)-6-morpholin-4-ylpyridin-3-amine
CID 133390029
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
N-[(3-chloro-6-morpholin-4-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62285577
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine?
The IUPAC name of N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine (CID 83290506) is N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine is CC(C)CNc1nc(N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine?
The InChIKey is SCAILDDFEOEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(2)9-14-13-11(17(18)19)3-4-12(15-13)16-5-7-20-8-6-16/h3-4,10H,5-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine?
N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-morpholin-4-yl-3-nitropyridin-2-amine is sourced from PubChem (CID 83290506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).