2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide

C10H15N5O3 — CID 80782745

IUPAC2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(=O)NC)n1
InChIInChI=1S/C10H15N5O3/c1-3-12-8-5-4-7(15(17)18)10(14-8)13-6-9(16)11-2/h4-5H,3,6H2,1-2H3,(H,11,16)(H2,12,13,14)
InChIKeyRCAQFPWRXPXDPQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.58
Rot. Bonds6

About 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide

2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide (PubChem CID 80782745) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
PubChem CID80782745
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(=O)NC)n1
InChIInChI=1S/C10H15N5O3/c1-3-12-8-5-4-7(15(17)18)10(14-8)13-6-9(16)11-2/h4-5H,3,6H2,1-2H3,(H,11,16)(H2,12,13,14)
InChIKeyRCAQFPWRXPXDPQ-UHFFFAOYSA-N
XLogP0.58
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
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

ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280684
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80830213
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide (CID 80782745) is 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide is CCNc1ccc([N+](=O)[O-])c(NCC(=O)NC)n1.
What is the InChIKey of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide?
The InChIKey is RCAQFPWRXPXDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-3-12-8-5-4-7(15(17)18)10(14-8)13-6-9(16)11-2/h4-5H,3,6H2,1-2H3,(H,11,16)(H2,12,13,14).
What are the key properties of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide?
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide has a molecular weight of 253.26 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide is sourced from PubChem (CID 80782745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).