2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide

C13H21N5O3 — CID 80788637

IUPAC2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N5O3/c1-3-5-8-17(9-11(14)19)13-10(18(20)21)6-7-12(16-13)15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyGORSQKHOQBJKLX-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.51
Rot. Bonds9

About 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide

2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide (PubChem CID 80788637) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
PubChem CID80788637
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(NCC)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H21N5O3/c1-3-5-8-17(9-11(14)19)13-10(18(20)21)6-7-12(16-13)15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyGORSQKHOQBJKLX-UHFFFAOYSA-N
XLogP1.51
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.51
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

N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
N-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]-propylamino]acetamide
CID 80806509
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
CID 103103661
2-[(2-amino-2-oxoethyl)-butylamino]-3-nitrobenzoic acid
CID 115932315
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
2-N-butan-2-yl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80774148
2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
CID 62890626
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide?
The IUPAC name of 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide (CID 80788637) is 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide is CCCCN(CC(N)=O)c1nc(NCC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide?
The InChIKey is GORSQKHOQBJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-5-8-17(9-11(14)19)13-10(18(20)21)6-7-12(16-13)15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H2,14,19)(H,15,16).
What are the key properties of 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide?
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide has a molecular weight of 295.34 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 80788637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).