1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol

C11H17N3O4 — CID 115702124

IUPAC1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4/c1-3-8(15)6-7-12-11-9(14(16)17)4-5-10(13-11)18-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyNIRWKCMKFZUOOM-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.57
Rot. Bonds7

About 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol

1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol (PubChem CID 115702124) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
PubChem CID115702124
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O4/c1-3-8(15)6-7-12-11-9(14(16)17)4-5-10(13-11)18-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyNIRWKCMKFZUOOM-UHFFFAOYSA-N
XLogP1.57
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol?
The IUPAC name of 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol (CID 115702124) is 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol?
The canonical SMILES for 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol is CCC(O)CCNc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol?
The InChIKey is NIRWKCMKFZUOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-8(15)6-7-12-11-9(14(16)17)4-5-10(13-11)18-2/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol?
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol has a molecular weight of 255.27 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol is sourced from PubChem (CID 115702124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).