(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol

C10H15N3O3 — CID 97329550

IUPAC(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1nc(N(C)[C@H](C)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-7(6-14)12(3)10-5-4-9(13(15)16)8(2)11-10/h4-5,7,14H,6H2,1-3H3/t7-/m1/s1
InChIKeyYIKVBHWWAXILJK-SSDOTTSWSA-N
MW225.25 g/mol
LogP1.12
Rot. Bonds4

About (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol

(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 97329550) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
PubChem CID97329550
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1nc(N(C)[C@H](C)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-7(6-14)12(3)10-5-4-9(13(15)16)8(2)11-10/h4-5,7,14H,6H2,1-3H3/t7-/m1/s1
InChIKeyYIKVBHWWAXILJK-SSDOTTSWSA-N
XLogP1.12
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.12
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

1-methoxy-3-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80718215
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
3-[ethyl-(6-methyl-5-nitro-2-pyridinyl)amino]propanenitrile
CID 80711760
(2R)-2-(4-bromo-N-methyl-2-nitroanilino)propan-1-ol
CID 97020173
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
CID 104553730
N,6-dimethyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 133412898
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650
N,6-dimethyl-5-nitro-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pyridin-2-amine
CID 122137908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol (CID 97329550) is (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol is Cc1nc(N(C)[C@H](C)CO)ccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is YIKVBHWWAXILJK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(6-14)12(3)10-5-4-9(13(15)16)8(2)11-10/h4-5,7,14H,6H2,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 97329550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).