N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide

C12H19N5O3 — CID 80806509

IUPACN-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC)c1nc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-4-7-16(8-11(18)14-3)12-9(17(19)20)5-6-10(13-2)15-12/h5-6H,4,7-8H2,1-3H3,(H,13,15)(H,14,18)
InChIKeyWVBDNDXGGUCLJQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.99
Rot. Bonds7

About N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide

N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide (PubChem CID 80806509) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
PubChem CID80806509
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NC)c1nc(NC)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-4-7-16(8-11(18)14-3)12-9(17(19)20)5-6-10(13-2)15-12/h5-6H,4,7-8H2,1-3H3,(H,13,15)(H,14,18)
InChIKeyWVBDNDXGGUCLJQ-UHFFFAOYSA-N
XLogP0.99
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
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

2-N-(2-ethoxyethyl)-2-N-ethyl-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80834593
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
CID 80753426
N-methyl-2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-propylamino]acetamide
CID 80806780
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 80810495
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
methyl 5-nitro-6-[prop-2-enyl(propyl)amino]pyridine-2-carboxylate
CID 114404386
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 71523739
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide?
The IUPAC name of N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide (CID 80806509) is N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide.
What is the SMILES notation for N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide?
The canonical SMILES for N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide is CCCN(CC(=O)NC)c1nc(NC)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide?
The InChIKey is WVBDNDXGGUCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-7-16(8-11(18)14-3)12-9(17(19)20)5-6-10(13-2)15-12/h5-6H,4,7-8H2,1-3H3,(H,13,15)(H,14,18).
What are the key properties of N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide?
N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide has a molecular weight of 281.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide is sourced from PubChem (CID 80806509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).