N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine

C10H11N3O3 — CID 114418080

IUPACN-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
SMILESC#CC(C)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O3/c1-4-7(2)11-10-8(13(14)15)5-6-9(12-10)16-3/h1,5-7H,2-3H3,(H,11,12)
InChIKeyRSZUVLONKAVCQO-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.43
Rot. Bonds4

About N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine

N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine (PubChem CID 114418080) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
PubChem CID114418080
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC NameN-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
SMILESC#CC(C)Nc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O3/c1-4-7(2)11-10-8(13(14)15)5-6-9(12-10)16-3/h1,5-7H,2-3H3,(H,11,12)
InChIKeyRSZUVLONKAVCQO-UHFFFAOYSA-N
XLogP1.43
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.43
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
6-methoxy-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 115321590

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine (CID 114418080) is N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine is C#CC(C)Nc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is RSZUVLONKAVCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-4-7(2)11-10-8(13(14)15)5-6-9(12-10)16-3/h1,5-7H,2-3H3,(H,11,12).
What are the key properties of N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine?
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 221.22 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 114418080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).