2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol

C12H20N4O3 — CID 106163269

IUPAC2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
SMILESCNc1cc([N+](=O)[O-])cc(NCCCC(C)CO)n1
InChIInChI=1S/C12H20N4O3/c1-9(8-17)4-3-5-14-12-7-10(16(18)19)6-11(13-2)15-12/h6-7,9,17H,3-5,8H2,1-2H3,(H2,13,14,15)
InChIKeyMVJSQMJMUCNQKS-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.85
Rot. Bonds8

About 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol

2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol (PubChem CID 106163269) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
PubChem CID106163269
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
SMILESCNc1cc([N+](=O)[O-])cc(NCCCC(C)CO)n1
InChIInChI=1S/C12H20N4O3/c1-9(8-17)4-3-5-14-12-7-10(16(18)19)6-11(13-2)15-12/h6-7,9,17H,3-5,8H2,1-2H3,(H2,13,14,15)
InChIKeyMVJSQMJMUCNQKS-UHFFFAOYSA-N
XLogP1.85
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.85
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'}

Analyze 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol with MolForge

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Related Compounds

5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106163382
5-(2,6-difluoro-4-nitroanilino)-2-methylpentan-1-ol
CID 103858438
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 106014998
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510
2-ethyl-2-[[[6-(methylamino)-4-nitro-2-pyridinyl]amino]methyl]butan-1-ol
CID 106258324
2-methyl-5-(2-methyl-5-nitroanilino)pentan-1-ol
CID 106158445
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol
CID 106163078
6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 114071046
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol (CID 106163269) is 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol is CNc1cc([N+](=O)[O-])cc(NCCCC(C)CO)n1.
What is the InChIKey of 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is MVJSQMJMUCNQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(8-17)4-3-5-14-12-7-10(16(18)19)6-11(13-2)15-12/h6-7,9,17H,3-5,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol?
2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 106163269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).