5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile

C21H20N6O — CID 134507990

IUPAC5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3ccccc3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C21H20N6O/c22-10-19-20(28-18-7-4-8-23-14-18)9-17(13-24-19)27-21-25-11-16(12-26-21)15-5-2-1-3-6-15/h1-3,5-6,9,11-13,18,23H,4,7-8,14H2,(H,25,26,27)
InChIKeyJHMSCTXXWOJJDW-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.28
Rot. Bonds5

About 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile

5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (PubChem CID 134507990) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
PubChem CID134507990
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
SMILESN#Cc1ncc(Nc2ncc(-c3ccccc3)cn2)cc1OC1CCCNC1
InChIInChI=1S/C21H20N6O/c22-10-19-20(28-18-7-4-8-23-14-18)9-17(13-24-19)27-21-25-11-16(12-26-21)15-5-2-1-3-6-15/h1-3,5-6,9,11-13,18,23H,4,7-8,14H2,(H,25,26,27)
InChIKeyJHMSCTXXWOJJDW-UHFFFAOYSA-N
XLogP3.28
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The IUPAC name of 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile (CID 134507990) is 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile.
What is the SMILES notation for 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The canonical SMILES for 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is N#Cc1ncc(Nc2ncc(-c3ccccc3)cn2)cc1OC1CCCNC1.
What is the InChIKey of 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
The InChIKey is JHMSCTXXWOJJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-10-19-20(28-18-7-4-8-23-14-18)9-17(13-24-19)27-21-25-11-16(12-26-21)15-5-2-1-3-6-15/h1-3,5-6,9,11-13,18,23H,4,7-8,14H2,(H,25,26,27).
What are the key properties of 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile?
5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile has a molecular weight of 372.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenylpyrimidin-2-yl)amino]-3-piperidin-3-yloxypyridine-2-carbonitrile is sourced from PubChem (CID 134507990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).