5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile

C22H17N7O — CID 167429032

IUPAC5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile
SMILESCc1cc(Oc2nc(C#N)ccc2-c2ncc(CN)cn2)cc(-c2ccccn2)n1
InChIInChI=1S/C22H17N7O/c1-14-8-17(9-20(28-14)19-4-2-3-7-25-19)30-22-18(6-5-16(11-24)29-22)21-26-12-15(10-23)13-27-21/h2-9,12-13H,10,23H2,1H3
InChIKeyYDIWKVSABZXDLJ-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.43
Rot. Bonds5

About 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile

5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile (PubChem CID 167429032) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile
PubChem CID167429032
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile
SMILESCc1cc(Oc2nc(C#N)ccc2-c2ncc(CN)cn2)cc(-c2ccccn2)n1
InChIInChI=1S/C22H17N7O/c1-14-8-17(9-20(28-14)19-4-2-3-7-25-19)30-22-18(6-5-16(11-24)29-22)21-26-12-15(10-23)13-27-21/h2-9,12-13H,10,23H2,1H3
InChIKeyYDIWKVSABZXDLJ-UHFFFAOYSA-N
XLogP3.43
TPSA123.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile with MolForge

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Related Compounds

4-[5-[(1S)-2-amino-1-hydroxyethyl]-2-pyridinyl]-3-[(2-methyl-6-pyrimidin-2-yl-4-pyridinyl)oxy]benzonitrile
CID 167429922
[2-(6-methyl-2-pyridinyl)pyrimidin-5-yl]methanamine
CID 63555986
4-[5-[(1S)-2-amino-1-hydroxyethyl]pyrimidin-2-yl]-3-[[2-methyl-6-(5-methyl-1,3-thiazol-2-yl)-4-pyridinyl]oxy]benzonitrile
CID 167429347
2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600
6-methyl-4-pyridin-2-ylpyridine-3-carbonitrile
CID 82112135
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[1-methyl-3-(1-methylimidazol-2-yl)pyrazol-5-yl]oxybenzonitrile
CID 167429460
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911
2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)ethanamine
CID 83849082
5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
CID 164941096
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]oxybenzonitrile
CID 167429866
4-[5-(aminomethyl)pyrimidin-2-yl]-3-[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]oxybenzonitrile
CID 167429994

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile?
The IUPAC name of 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile (CID 167429032) is 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile is Cc1cc(Oc2nc(C#N)ccc2-c2ncc(CN)cn2)cc(-c2ccccn2)n1.
What is the InChIKey of 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile?
The InChIKey is YDIWKVSABZXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-14-8-17(9-20(28-14)19-4-2-3-7-25-19)30-22-18(6-5-16(11-24)29-22)21-26-12-15(10-23)13-27-21/h2-9,12-13H,10,23H2,1H3.
What are the key properties of 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile?
5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile has a molecular weight of 395.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)pyrimidin-2-yl]-6-[(2-methyl-6-pyridin-2-yl-4-pyridinyl)oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 167429032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).