5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol

C11H18N4O3 — CID 106163382

IUPAC5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C11H18N4O3/c1-8(7-16)3-2-4-13-11-6-9(15(17)18)5-10(12)14-11/h5-6,8,16H,2-4,7H2,1H3,(H3,12,13,14)
InChIKeySZZPUPXAGRCSDV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.39
Rot. Bonds7

About 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol

5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol (PubChem CID 106163382) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
PubChem CID106163382
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc([N+](=O)[O-])cc(N)n1
InChIInChI=1S/C11H18N4O3/c1-8(7-16)3-2-4-13-11-6-9(15(17)18)5-10(12)14-11/h5-6,8,16H,2-4,7H2,1H3,(H3,12,13,14)
InChIKeySZZPUPXAGRCSDV-UHFFFAOYSA-N
XLogP1.39
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106163269
5-(2,6-difluoro-4-nitroanilino)-2-methylpentan-1-ol
CID 103858438
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510
2-methyl-5-(2-methyl-5-nitroanilino)pentan-1-ol
CID 106158445
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
3-[(6-amino-4-nitro-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114094074
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine
CID 106041685
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol (CID 106163382) is 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1cc([N+](=O)[O-])cc(N)n1.
What is the InChIKey of 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol?
The InChIKey is SZZPUPXAGRCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(7-16)3-2-4-13-11-6-9(15(17)18)5-10(12)14-11/h5-6,8,16H,2-4,7H2,1H3,(H3,12,13,14).
What are the key properties of 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol?
5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106163382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).