2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid

C14H21N3O4 — CID 81139931

IUPAC2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid
SMILESCc1ccc([N+](=O)[O-])c(NC(C)CCCC(C)C(=O)O)n1
InChIInChI=1S/C14H21N3O4/c1-9(14(18)19)5-4-6-10(2)15-13-12(17(20)21)8-7-11(3)16-13/h7-10H,4-6H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyVKUNMRPHCHXJMJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.99
Rot. Bonds8

About 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid

2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid (PubChem CID 81139931) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid
PubChem CID81139931
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid
SMILESCc1ccc([N+](=O)[O-])c(NC(C)CCCC(C)C(=O)O)n1
InChIInChI=1S/C14H21N3O4/c1-9(14(18)19)5-4-6-10(2)15-13-12(17(20)21)8-7-11(3)16-13/h7-10H,4-6H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyVKUNMRPHCHXJMJ-UHFFFAOYSA-N
XLogP2.99
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.99
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'}

Analyze 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
6-(5-methylhexan-2-ylamino)-5-nitropyridine-2-carboxylic acid
CID 114404154
N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
CID 81139032
2-methyl-6-[(6-nitro-3-pyridinyl)amino]heptanoic acid
CID 65289531
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
2-methyl-6-[(4-nitro-2-pyridinyl)amino]heptanoic acid
CID 65289526
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
methyl 6-(4-methoxybutan-2-ylamino)-5-nitropyridine-2-carboxylate
CID 114404216
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
2-N-[5-(diethylamino)pentan-2-yl]-3-nitropyridine-2,6-diamine
CID 80772125

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid (CID 81139931) is 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid is Cc1ccc([N+](=O)[O-])c(NC(C)CCCC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid?
The InChIKey is VKUNMRPHCHXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(14(18)19)5-4-6-10(2)15-13-12(17(20)21)8-7-11(3)16-13/h7-10H,4-6H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid?
2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-methyl-3-nitro-2-pyridinyl)amino]heptanoic acid is sourced from PubChem (CID 81139931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).