2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H16N4 — CID 162636186

IUPAC2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1cc(N)ncc1-c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C16H16N4/c1-10-6-15(18)19-9-13(10)16-12(8-17)7-11-4-2-3-5-14(11)20-16/h6-7,9H,2-5H2,1H3,(H2,18,19)
InChIKeyGPNKZUUTLRCGNJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.78
Rot. Bonds1

About 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 162636186) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID162636186
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1cc(N)ncc1-c1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C16H16N4/c1-10-6-15(18)19-9-13(10)16-12(8-17)7-11-4-2-3-5-14(11)20-16/h6-7,9H,2-5H2,1H3,(H2,18,19)
InChIKeyGPNKZUUTLRCGNJ-UHFFFAOYSA-N
XLogP2.78
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 162636186) is 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1cc(N)ncc1-c1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GPNKZUUTLRCGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-6-15(18)19-9-13(10)16-12(8-17)7-11-4-2-3-5-14(11)20-16/h6-7,9H,2-5H2,1H3,(H2,18,19).
What are the key properties of 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 162636186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).