N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide

C13H19N5O3 — CID 106322383

IUPACN,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(NC)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H19N5O3/c1-13(12(19)15-3)6-7-17(8-13)11-9(18(20)21)4-5-10(14-2)16-11/h4-5H,6-8H2,1-3H3,(H,14,16)(H,15,19)
InChIKeyMSWIOVPXGWOGAQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.99
Rot. Bonds4

About N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide

N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 106322383) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID106322383
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(NC)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H19N5O3/c1-13(12(19)15-3)6-7-17(8-13)11-9(18(20)21)4-5-10(14-2)16-11/h4-5H,6-8H2,1-3H3,(H,14,16)(H,15,19)
InChIKeyMSWIOVPXGWOGAQ-UHFFFAOYSA-N
XLogP0.99
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.99
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

N-methyl-5-nitro-6-(3,3,4-trimethylpiperazin-1-yl)pyridin-2-amine
CID 80834541
1-(3-iodo-4-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150517
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
1-(4-cyano-3-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318429
1-(6-chloro-4-nitro-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150503
[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
methyl 6-(3,3-dimethylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 114404314
[6,6-dimethyl-4-[6-(methylamino)-3-nitro-2-pyridinyl]morpholin-2-yl]methanol
CID 114782729
6-(3,5-dimethylpiperidin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80766974
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103356433

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide (CID 106322383) is N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(NC)ccc2[N+](=O)[O-])C1.
What is the InChIKey of N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is MSWIOVPXGWOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-13(12(19)15-3)6-7-17(8-13)11-9(18(20)21)4-5-10(14-2)16-11/h4-5H,6-8H2,1-3H3,(H,14,16)(H,15,19).
What are the key properties of N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide?
N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 106322383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).