6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile

C16H15N7O — CID 134229508

IUPAC6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1
InChIInChI=1S/C16H15N7O/c1-8-12(13(18)14-16(19-8)23-24-22-14)6-11-3-2-9(7-17)15(21-11)20-10-4-5-10/h2-3,10H,4-6,18H2,1H3,(H,20,21)
InChIKeyFFSUJBAEJTXBRA-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.94
Rot. Bonds4

About 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile

6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile (PubChem CID 134229508) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile
PubChem CID134229508
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile
SMILESCc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1
InChIInChI=1S/C16H15N7O/c1-8-12(13(18)14-16(19-8)23-24-22-14)6-11-3-2-9(7-17)15(21-11)20-10-4-5-10/h2-3,10H,4-6,18H2,1H3,(H,20,21)
InChIKeyFFSUJBAEJTXBRA-UHFFFAOYSA-N
XLogP1.94
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,3-Dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335840
4-(3-Cyclopropyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335871
4-(3-Cyclopentyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135336047
2-Benzyl-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 989046
2-Methyl-6-phenyl-4-(piperidinyl)pyrrolo[3,2-d]pyrimidine
CID 9796081
6-Phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10498512
2-Cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10522130
(6-Phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)-propyl-amine
CID 10547234
Methyl-(6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)-amine
CID 10617383
4-(2-Ethyl-piperidin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10642052
2-Methyl-4-(2-methyl-piperidin-1-yl)-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 10807285
2-Ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10831203

Frequently Asked Questions

What is the IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile (CID 134229508) is 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile is Cc1nc2nonc2c(N)c1Cc1ccc(C#N)c(NC2CC2)n1.
What is the InChIKey of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile?
The InChIKey is FFSUJBAEJTXBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-8-12(13(18)14-16(19-8)23-24-22-14)6-11-3-2-9(7-17)15(21-11)20-10-4-5-10/h2-3,10H,4-6,18H2,1H3,(H,20,21).
What are the key properties of 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile?
6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-2-(cyclopropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 134229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).