2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide

C12H14N4O5 — CID 71910094

IUPAC2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
SMILESCC1(C)CC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)C(=O)O1
InChIInChI=1S/C12H14N4O5/c1-12(2)4-8(11(18)21-12)15-10-7(9(13)17)3-6(5-14-10)16(19)20/h3,5,8H,4H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyPDFSUSOSYIBVQC-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.59
Rot. Bonds4

About 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide

2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide (PubChem CID 71910094) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
PubChem CID71910094
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
SMILESCC1(C)CC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)C(=O)O1
InChIInChI=1S/C12H14N4O5/c1-12(2)4-8(11(18)21-12)15-10-7(9(13)17)3-6(5-14-10)16(19)20/h3,5,8H,4H2,1-2H3,(H2,13,17)(H,14,15)
InChIKeyPDFSUSOSYIBVQC-UHFFFAOYSA-N
XLogP0.59
TPSA137.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 133377744
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide (CID 71910094) is 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide is CC1(C)CC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)C(=O)O1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide?
The InChIKey is PDFSUSOSYIBVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5/c1-12(2)4-8(11(18)21-12)15-10-7(9(13)17)3-6(5-14-10)16(19)20/h3,5,8H,4H2,1-2H3,(H2,13,17)(H,14,15).
What are the key properties of 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide?
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 71910094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).