N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide

C14H13N3O3 — CID 876740

IUPACN-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESCc1cccnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O3/c1-10-3-2-8-15-14(10)16-13(18)9-11-4-6-12(7-5-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyBSELUVKXUAJCLS-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.48
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide

N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide (PubChem CID 876740) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
PubChem CID876740
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
SMILESCc1cccnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H13N3O3/c1-10-3-2-8-15-14(10)16-13(18)9-11-4-6-12(7-5-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18)
InChIKeyBSELUVKXUAJCLS-UHFFFAOYSA-N
XLogP2.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Difenpiramide
CID 100472
N-(pyridin-2-yl)benzamide
CID 219990
4-Aminobenzamidopyridine
CID 81976
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
2-Benzylamino-5-nitropyridine
CID 261542
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-methyl-N-pyridin-2-ylbenzamide
CID 799062
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
Octanedioic acid hydroxyamide pyridin-2-ylamide
CID 11747496
N-(pyridin-2-ylcarbamoyl)benzamide
CID 2985532
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
4-Nitro-N-pyrimidin-2-yl-benzamide
CID 235802

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide (CID 876740) is N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide is Cc1cccnc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is BSELUVKXUAJCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-3-2-8-15-14(10)16-13(18)9-11-4-6-12(7-5-11)17(19)20/h2-8H,9H2,1H3,(H,15,16,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide?
N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 876740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).