2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H16N4 — CID 3835861

IUPAC2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
InChIInChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
InChIKeyQSYBDNXNOJIKML-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds1

About 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3835861) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3835861
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
InChIInChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20)
InChIKeyQSYBDNXNOJIKML-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isoquinoline, 1-amino-3-(2-pyridyl)-
CID 217000
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
3,5-Bis[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]benzonitrile
CID 71254035
(S)-6-(2-Amino-2-(3-(2-(4-Methylpyridin-2-Yl)ethyl)phenyl)ethyl)-4-Methylpyridin-2-Amine
CID 73659115
(R)-6-(3-Amino-2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)propyl)-4-Methylpyridin-2-Amine
CID 73659118
6(3Amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyridin3yl}propyl)4methylpyridin2amine (7)
CID 86767080
6-[(2s)-3-Amino-2-{5-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]pyridin-3-Yl}propyl]-4-Methylpyridin-2-Amine
CID 90656641
Aak1-IN-2
CID 118279767
4-Methyl-6-(2-(5-(1-Methylpiperidin-4-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057274
4-Methyl-6-(2-(5-(3-(Methylamino)propyl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119081688
6-(2-(5-(3-(Dimethylamino)propyl)pyridin-3-Yl)ethyl)-4-Methylpyridin-2-Amine
CID 119081689

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3835861) is 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1.
What is the InChIKey of 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is QSYBDNXNOJIKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-10-4-5-14-12(7-10)15(11-3-2-6-19-9-11)13(8-17)16(18)20-14/h2-3,6,9-10H,4-5,7H2,1H3,(H2,18,20).
What are the key properties of 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3835861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).