2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine

C13H23N5O3 — CID 118861324

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N
InChIInChI=1S/C13H23N5O3/c1-9(2)21-13-10(14)8-11(18(19)20)12(15-13)17(5)7-6-16(3)4/h8-9H,6-7,14H2,1-5H3
InChIKeyHYXNZAYHQJAPIT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.36
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine (PubChem CID 118861324) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine
PubChem CID118861324
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine
SMILESCC(C)Oc1nc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N
InChIInChI=1S/C13H23N5O3/c1-9(2)21-13-10(14)8-11(18(19)20)12(15-13)17(5)7-6-16(3)4/h8-9H,6-7,14H2,1-5H3
InChIKeyHYXNZAYHQJAPIT-UHFFFAOYSA-N
XLogP1.36
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-6-propan-2-yloxy-3-pyridinyl]hydroxylamine
CID 174193609
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-2-nitro-5-propan-2-yloxybenzene-1,4-diamine
CID 140851194
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
tert-butyl N-acetyl-N-[6-[2-(dimethylamino)ethyl-methylamino]-5-nitro-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 168741108
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
4-[2-(dimethylamino)ethyl]-2-N-methyl-5-nitro-6-propan-2-yloxypyridine-2,3-diamine
CID 130205757
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
(5-nitro-6-propan-2-yloxy-2-pyridinyl)hydrazine
CID 80911273
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]butan-2-ol
CID 113252246
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine (CID 118861324) is 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine is CC(C)Oc1nc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine?
The InChIKey is HYXNZAYHQJAPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-9(2)21-13-10(14)8-11(18(19)20)12(15-13)17(5)7-6-16(3)4/h8-9H,6-7,14H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine has a molecular weight of 297.36 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-propan-2-yloxypyridine-2,5-diamine is sourced from PubChem (CID 118861324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).