2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol

C15H25N3O3 — CID 103182719

IUPAC2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1ncc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C15H25N3O3/c1-5-13(6-2)17(7-8-19)10-14-12(4)15(18(20)21)11(3)9-16-14/h9,13,19H,5-8,10H2,1-4H3
InChIKeyKFTMDEGNVWSZOC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.59
Rot. Bonds8

About 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol

2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol (PubChem CID 103182719) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
PubChem CID103182719
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1ncc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C15H25N3O3/c1-5-13(6-2)17(7-8-19)10-14-12(4)15(18(20)21)11(3)9-16-14/h9,13,19H,5-8,10H2,1-4H3
InChIKeyKFTMDEGNVWSZOC-UHFFFAOYSA-N
XLogP2.59
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
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-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 103182226
5-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107204332
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-ethylamino]butanoic acid
CID 103186224
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]pentan-2-ol
CID 103182311
methyl 4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-methylamino]butanoate
CID 103182610
1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
CID 103186135
2-(3,5-dimethyl-4-nitro-2-pyridinyl)acetic acid
CID 103185934
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-3-methylpentan-2-amine
CID 103185579
3-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-ethylamino]-2-methylpropanenitrile
CID 103185935
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-4-methylpentan-3-ol
CID 103182326
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylpentan-3-amine
CID 103186145
2-(chloromethyl)-3,5-dimethyl-4-nitropyridine;hydrate;hydrochloride
CID 141317816

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol (CID 103182719) is 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1ncc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is KFTMDEGNVWSZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-13(6-2)17(7-8-19)10-14-12(4)15(18(20)21)11(3)9-16-14/h9,13,19H,5-8,10H2,1-4H3.
What are the key properties of 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol?
2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 295.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 103182719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).