2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C18H20N6O — CID 126887406

About 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126887406) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
• PubChem CID: 126887406
• Molecular Formula: C18H20N6O
• Molecular Weight: 336.40 g/mol
• Exact Mass: 336.17
• IUPAC Name: 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
• SMILES: N#Cc1cc2c(nc1N1CCC(Nc3ccncn3)CC1)CCOC2
• InChI: InChI=1S/C18H20N6O/c19-10-13-9-14-11-25-8-4-16(14)23-18(13)24-6-2-15(3-7-24)22-17-1-5-20-12-21-17/h1,5,9,12,15H,2-4,6-8,11H2,(H,20,21,22)
• InChIKey: PIZKBKGEOSGMCW-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 86.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The IUPAC name of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126887406) is 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The canonical SMILES for 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CCC(Nc3ccncn3)CC1)CCOC2.

What is the InChIKey of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

The InChIKey is PIZKBKGEOSGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c19-10-13-9-14-11-25-8-4-16(14)23-18(13)24-6-2-15(3-7-24)22-17-1-5-20-12-21-17/h1,5,9,12,15H,2-4,6-8,11H2,(H,20,21,22).

What are the key properties of 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?

2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126887406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).