5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide

C11H17N5O3 — CID 55100789

IUPAC5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
SMILESCC(C)NCCNc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H17N5O3/c1-7(2)13-3-4-14-11-9(10(12)17)5-8(6-15-11)16(18)19/h5-7,13H,3-4H2,1-2H3,(H2,12,17)(H,14,15)
InChIKeyIGSLLPUFCHCGSI-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.50
Rot. Bonds7

About 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide

5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide (PubChem CID 55100789) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
PubChem CID55100789
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
SMILESCC(C)NCCNc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H17N5O3/c1-7(2)13-3-4-14-11-9(10(12)17)5-8(6-15-11)16(18)19/h5-7,13H,3-4H2,1-2H3,(H2,12,17)(H,14,15)
InChIKeyIGSLLPUFCHCGSI-UHFFFAOYSA-N
XLogP0.50
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethylamino]-5-nitropyridine-3-carboxamide
CID 133390539
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide (CID 55100789) is 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide is CC(C)NCCNc1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
The InChIKey is IGSLLPUFCHCGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(2)13-3-4-14-11-9(10(12)17)5-8(6-15-11)16(18)19/h5-7,13H,3-4H2,1-2H3,(H2,12,17)(H,14,15).
What are the key properties of 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide?
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 55100789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).