2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide

C12H19N5O3 — CID 104589638

IUPAC2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C12H19N5O3/c1-8(4-5-16(2)3)15-12(18)10-6-9(17(19)20)7-14-11(10)13/h6-8H,4-5H2,1-3H3,(H2,13,14)(H,15,18)
InChIKeyFFWUKYQFPJRUHP-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.64
Rot. Bonds6

About 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide

2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide (PubChem CID 104589638) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
PubChem CID104589638
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C12H19N5O3/c1-8(4-5-16(2)3)15-12(18)10-6-9(17(19)20)7-14-11(10)13/h6-8H,4-5H2,1-3H3,(H2,13,14)(H,15,18)
InChIKeyFFWUKYQFPJRUHP-UHFFFAOYSA-N
XLogP0.64
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.64
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-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589434
2-amino-N-(1-ethylsulfanylpropan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589699
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
CID 104589465
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide (CID 104589638) is 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide is CC(CCN(C)C)NC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is FFWUKYQFPJRUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-8(4-5-16(2)3)15-12(18)10-6-9(17(19)20)7-14-11(10)13/h6-8H,4-5H2,1-3H3,(H2,13,14)(H,15,18).
What are the key properties of 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide?
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).