2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

C16H17N3S — CID 679425

IUPAC2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
InChIInChI=1S/C16H17N3S/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)
InChIKeyCEGUMGSHVKGAOL-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.84
Rot. Bonds1

About 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (PubChem CID 679425) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
PubChem CID679425
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1
InChIInChI=1S/C16H17N3S/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)
InChIKeyCEGUMGSHVKGAOL-UHFFFAOYSA-N
XLogP3.84
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-Amino-4,6-di(2-thienyl)nicotinonitrile
CID 2817024
2-Amino-4-phenyl-6-thiophen-2-yl-nicotinonitrile
CID 10423637
2-Amino-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 750693
2-(Dimethylamino)-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 2726258
2-Amino-6-phenyl-4-thiophen-2-yl-nicotinonitrile
CID 3355253
2-Amino-6-(4-fluoro-phenyl)-5-methyl-4-thiophen-2-yl-nicotinonitrile
CID 936317
2-Amino-6-[(3-methylbenzyl)sulfanyl]-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 1201836
2-(Methylamino)-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 2726257
2-Amino-4-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 794068
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
2-Amino-4-(5-tert-butyl-2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
CID 822490
2-Amino-4-(5-butylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1912665

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CID 679425) is 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)s1.
What is the InChIKey of 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The InChIKey is CEGUMGSHVKGAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19).
What are the key properties of 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 679425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).