N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide

C9H12N4O3 — CID 9339733

IUPACN,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
SMILESCN(C)C(=O)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O3/c1-12(2)8(14)6-11-9-7(13(15)16)4-3-5-10-9/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyXLNVFBDUBZWMRW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.49
Rot. Bonds4

About N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide

N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 9339733) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
PubChem CID9339733
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
SMILESCN(C)C(=O)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O3/c1-12(2)8(14)6-11-9-7(13(15)16)4-3-5-10-9/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyXLNVFBDUBZWMRW-UHFFFAOYSA-N
XLogP0.49
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.49
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-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 61375232
2-[(3-fluoro-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62734537
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
N-[[3-(dimethylamino)phenyl]methyl]-3-nitropyridin-2-amine
CID 133279684
N-(cyclopropylmethyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 133441803
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
N-methyl-3-nitropyridin-2-amine
CID 556349
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide (CID 9339733) is N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide is CN(C)C(=O)CNc1ncccc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is XLNVFBDUBZWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12(2)8(14)6-11-9-7(13(15)16)4-3-5-10-9/h3-5H,6H2,1-2H3,(H,10,11).
What are the key properties of N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide?
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 224.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 9339733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).