2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide

C11H16N4O3 — CID 112738300

IUPAC2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide
SMILESCCC(C)(Nc1nccc(C)c1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H16N4O3/c1-4-11(3,10(12)16)14-9-8(15(17)18)7(2)5-6-13-9/h5-6H,4H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyFAHZZVWFSCQSBB-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.36
Rot. Bonds5

About 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide

2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide (PubChem CID 112738300) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide
PubChem CID112738300
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide
SMILESCCC(C)(Nc1nccc(C)c1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C11H16N4O3/c1-4-11(3,10(12)16)14-9-8(15(17)18)7(2)5-6-13-9/h5-6H,4H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyFAHZZVWFSCQSBB-UHFFFAOYSA-N
XLogP1.36
TPSA111.15 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 ≤ 51.36
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

2,2,3-trimethyl-3-[(4-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 65266098
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
2-methyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 113440749
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
CID 82813128
1-[[(4-methyl-3-nitro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 115629511
4,4-dimethyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103895848
N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 133441885
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide?
The IUPAC name of 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide (CID 112738300) is 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide.
What is the SMILES notation for 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide?
The canonical SMILES for 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide is CCC(C)(Nc1nccc(C)c1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide?
The InChIKey is FAHZZVWFSCQSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-11(3,10(12)16)14-9-8(15(17)18)7(2)5-6-13-9/h5-6H,4H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide?
2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide has a molecular weight of 252.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 112738300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).