N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide

C12H16N4O3 — CID 119553240

IUPACN,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C12H16N4O3/c1-8-11(5-10(7-14-8)16(18)19)12(17)15(2)9-3-4-13-6-9/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyCOVQFPCTAFDTAO-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.73
Rot. Bonds3

About N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide

N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide (PubChem CID 119553240) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
PubChem CID119553240
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C12H16N4O3/c1-8-11(5-10(7-14-8)16(18)19)12(17)15(2)9-3-4-13-6-9/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyCOVQFPCTAFDTAO-UHFFFAOYSA-N
XLogP0.73
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
4-fluoro-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550411
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 109400050
N-(azetidin-3-yl)-2-chloro-N-methyl-5-nitrobenzamide
CID 66185472
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N,2-dimethyl-4-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124613889
N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119553182
2-bromo-N-methyl-4-nitro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442882
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
CID 119551523
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide (CID 119553240) is N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C1CCNC1.
What is the InChIKey of N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The InChIKey is COVQFPCTAFDTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-11(5-10(7-14-8)16(18)19)12(17)15(2)9-3-4-13-6-9/h5,7,9,13H,3-4,6H2,1-2H3.
What are the key properties of N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide?
N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-nitro-N-pyrrolidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119553240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).