2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile

C12H14N4O3 — CID 82812938

IUPAC2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2(N)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O3/c13-7-9-3-6-15-11(10(9)16(17)18)19-8-12(14)4-1-2-5-12/h3,6H,1-2,4-5,8,14H2
InChIKeyMHTKCGRIGGXHIJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.51
Rot. Bonds4

About 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile

2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile (PubChem CID 82812938) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile
PubChem CID82812938
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(OCC2(N)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O3/c13-7-9-3-6-15-11(10(9)16(17)18)19-8-12(14)4-1-2-5-12/h3,6H,1-2,4-5,8,14H2
InChIKeyMHTKCGRIGGXHIJ-UHFFFAOYSA-N
XLogP1.51
TPSA115.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
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

2-[(1-aminocyclobutyl)methylamino]-3-nitropyridine-4-carbonitrile
CID 103354068
2-[(4-cyano-3-nitro-2-pyridinyl)oxy]acetic acid
CID 114335292
2-[(1-aminocyclopentyl)methoxy]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877225
3-nitro-2-(2-piperidin-3-ylethoxy)pyridine-4-carbonitrile
CID 82812623
2-[4-(hydroxymethyl)cyclohexyl]oxy-3-nitropyridine-4-carbonitrile
CID 106825859
1-[(3-methylpyrazin-2-yl)oxymethyl]cyclopentan-1-amine
CID 83064105
2-[(1-ethylcyclobutyl)methylamino]-3-nitropyridine-4-carbonitrile
CID 103764880
4-cyano-3-nitropyridine-2-sulfonamide
CID 82813144
2-(2-bromo-4-methylphenoxy)-3-nitropyridine-4-carbonitrile
CID 80718101
2-(cyclopropylmethylamino)-3-nitropyridine-4-carbonitrile
CID 80718010
1-[(2-iodo-4-nitrophenoxy)methyl]cyclohexan-1-amine
CID 66094336
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile (CID 82812938) is 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile is N#Cc1ccnc(OCC2(N)CCCC2)c1[N+](=O)[O-].
What is the InChIKey of 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile?
The InChIKey is MHTKCGRIGGXHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-7-9-3-6-15-11(10(9)16(17)18)19-8-12(14)4-1-2-5-12/h3,6H,1-2,4-5,8,14H2.
What are the key properties of 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile?
2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopentyl)methoxy]-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 82812938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).