3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile

C12H17N3O — CID 103282880

IUPAC3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
SMILESCCCC(C)COc1nccc(C#N)c1N
InChIInChI=1S/C12H17N3O/c1-3-4-9(2)8-16-12-11(14)10(7-13)5-6-15-12/h5-6,9H,3-4,8,14H2,1-2H3
InChIKeyLPCWHTHCQYMDIB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile

3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile (PubChem CID 103282880) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
PubChem CID103282880
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
SMILESCCCC(C)COc1nccc(C#N)c1N
InChIInChI=1S/C12H17N3O/c1-3-4-9(2)8-16-12-11(14)10(7-13)5-6-15-12/h5-6,9H,3-4,8,14H2,1-2H3
InChIKeyLPCWHTHCQYMDIB-UHFFFAOYSA-N
XLogP2.35
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpentoxy)benzonitrile
CID 62265352
3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
3-amino-2-(2,2,2-trifluoroethoxy)pyridine-4-carbonitrile
CID 82812758
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
3-amino-2-[(4-chlorophenyl)methoxy]pyridine-4-carbonitrile
CID 82813622
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
CID 82828614
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
CID 82812776
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
N-methyl-1-[2-(2-methylpentoxy)-4-pyridinyl]methanamine
CID 103285375
2-(2-methylpentoxy)pyridine-3-carboximidamide
CID 103283937
2-[2-(2-methylpentoxy)ethoxy]benzonitrile
CID 103283780

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile (CID 103282880) is 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile is CCCC(C)COc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile?
The InChIKey is LPCWHTHCQYMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-9(2)8-16-12-11(14)10(7-13)5-6-15-12/h5-6,9H,3-4,8,14H2,1-2H3.
What are the key properties of 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile?
3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 103282880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).