2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide

C11H16N4O3 — CID 62477037

IUPAC2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCc1cc([N+](=O)[O-])cnc1NCC(=O)NC(C)C
InChIInChI=1S/C11H16N4O3/c1-7(2)14-10(16)6-13-11-8(3)4-9(5-12-11)15(17)18/h4-5,7H,6H2,1-3H3,(H,12,13)(H,14,16)
InChIKeyBXDPIQCTYOMRNM-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.23
Rot. Bonds5

About 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide

2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide (PubChem CID 62477037) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
PubChem CID62477037
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
SMILESCc1cc([N+](=O)[O-])cnc1NCC(=O)NC(C)C
InChIInChI=1S/C11H16N4O3/c1-7(2)14-10(16)6-13-11-8(3)4-9(5-12-11)15(17)18/h4-5,7H,6H2,1-3H3,(H,12,13)(H,14,16)
InChIKeyBXDPIQCTYOMRNM-UHFFFAOYSA-N
XLogP1.23
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
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-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
cyclohexyl 2-[(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 133428758
2-[[(3-methyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226438
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968
3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
3-methyl-5-nitro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 104577326
2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 62476852
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide (CID 62477037) is 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide is Cc1cc([N+](=O)[O-])cnc1NCC(=O)NC(C)C.
What is the InChIKey of 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
The InChIKey is BXDPIQCTYOMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(2)14-10(16)6-13-11-8(3)4-9(5-12-11)15(17)18/h4-5,7H,6H2,1-3H3,(H,12,13)(H,14,16).
What are the key properties of 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide?
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide has a molecular weight of 252.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62477037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).