2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile

C16H16N6O2 — CID 161033462

IUPAC2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1O.N#Cc1cc(N)ncc1OCC1CC1
InChIInChI=1S/C10H11N3O.C6H5N3O/c11-4-8-3-10(12)13-5-9(8)14-6-7-1-2-7;7-2-4-1-6(8)9-3-5(4)10/h3,5,7H,1-2,6H2,(H2,12,13);1,3,10H,(H2,8,9)
InChIKeyTZXZKZWJRGIQQY-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile

2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile (PubChem CID 161033462) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile
PubChem CID161033462
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile
SMILESN#Cc1cc(N)ncc1O.N#Cc1cc(N)ncc1OCC1CC1
InChIInChI=1S/C10H11N3O.C6H5N3O/c11-4-8-3-10(12)13-5-9(8)14-6-7-1-2-7;7-2-4-1-6(8)9-3-5(4)10/h3,5,7H,1-2,6H2,(H2,12,13);1,3,10H,(H2,8,9)
InChIKeyTZXZKZWJRGIQQY-UHFFFAOYSA-N
XLogP1.57
TPSA154.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile (CID 161033462) is 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile is N#Cc1cc(N)ncc1O.N#Cc1cc(N)ncc1OCC1CC1.
What is the InChIKey of 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile?
The InChIKey is TZXZKZWJRGIQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C6H5N3O/c11-4-8-3-10(12)13-5-9(8)14-6-7-1-2-7;7-2-4-1-6(8)9-3-5(4)10/h3,5,7H,1-2,6H2,(H2,12,13);1,3,10H,(H2,8,9).
What are the key properties of 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile?
2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile is sourced from PubChem (CID 161033462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).