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

C12H17N5O3 — CID 80806821

IUPAC2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc(N)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C12H17N5O3/c13-10-6-5-9(17(19)20)12(15-10)16(7-11(14)18)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,13,15)(H2,14,18)
InChIKeyGJWBQNCJHGUKAQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.81
Rot. Bonds5

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

2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide (PubChem CID 80806821) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
PubChem CID80806821
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
SMILESNC(=O)CN(c1nc(N)ccc1[N+](=O)[O-])C1CCCC1
InChIInChI=1S/C12H17N5O3/c13-10-6-5-9(17(19)20)12(15-10)16(7-11(14)18)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,13,15)(H2,14,18)
InChIKeyGJWBQNCJHGUKAQ-UHFFFAOYSA-N
XLogP0.81
TPSA128.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.81
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-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80820849
2-[cyclohexyl-(6-methoxy-3-nitro-2-pyridinyl)amino]ethanol
CID 58903886
2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80786969
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
CID 103103661
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 80783006
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
2-(3-amino-N-cyclopentyl-4-nitroanilino)ethanol
CID 106751554
6-[cyclopropyl(2-methylpropyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403907
2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035717
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide (CID 80806821) is 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide is NC(=O)CN(c1nc(N)ccc1[N+](=O)[O-])C1CCCC1.
What is the InChIKey of 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide?
The InChIKey is GJWBQNCJHGUKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-10-6-5-9(17(19)20)12(15-10)16(7-11(14)18)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,13,15)(H2,14,18).
What are the key properties of 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide?
2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide is sourced from PubChem (CID 80806821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).