6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine

C12H19N5O3 — CID 162728726

IUPAC6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine
SMILESCOc1nc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1N
InChIInChI=1S/C12H19N5O3/c1-15(2)8-4-5-16(7-8)11-10(17(18)19)6-9(13)12(14-11)20-3/h6,8H,4-5,7,13H2,1-3H3/t8-/m1/s1
InChIKeyWDKJLGRCSWOSNO-MRVPVSSYSA-N
MW281.32 g/mol
LogP0.72
Rot. Bonds4

About 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine

6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine (PubChem CID 162728726) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine.

Molecular Properties

Compound Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine
PubChem CID162728726
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine
SMILESCOc1nc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1N
InChIInChI=1S/C12H19N5O3/c1-15(2)8-4-5-16(7-8)11-10(17(18)19)6-9(13)12(14-11)20-3/h6,8H,4-5,7,13H2,1-3H3/t8-/m1/s1
InChIKeyWDKJLGRCSWOSNO-MRVPVSSYSA-N
XLogP0.72
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine?
The IUPAC name of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine (CID 162728726) is 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine.
What is the SMILES notation for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine?
The canonical SMILES for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine is COc1nc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1N.
What is the InChIKey of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine?
The InChIKey is WDKJLGRCSWOSNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-15(2)8-4-5-16(7-8)11-10(17(18)19)6-9(13)12(14-11)20-3/h6,8H,4-5,7,13H2,1-3H3/t8-/m1/s1.
What are the key properties of 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine?
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine has a molecular weight of 281.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitropyridin-3-amine is sourced from PubChem (CID 162728726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).