2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile

C15H14N4 — CID 80554704

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cccc2c1CCNC2
InChIInChI=1S/C15H14N4/c16-9-11-4-2-7-18-15(11)19-14-5-1-3-12-10-17-8-6-13(12)14/h1-5,7,17H,6,8,10H2,(H,18,19)
InChIKeySROAKVGZRKWRNT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.34
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile

2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile (PubChem CID 80554704) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile
PubChem CID80554704
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1cccc2c1CCNC2
InChIInChI=1S/C15H14N4/c16-9-11-4-2-7-18-15(11)19-14-5-1-3-12-10-17-8-6-13(12)14/h1-5,7,17H,6,8,10H2,(H,18,19)
InChIKeySROAKVGZRKWRNT-UHFFFAOYSA-N
XLogP2.34
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile (CID 80554704) is 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1cccc2c1CCNC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile?
The InChIKey is SROAKVGZRKWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-11-4-2-7-18-15(11)19-14-5-1-3-12-10-17-8-6-13(12)14/h1-5,7,17H,6,8,10H2,(H,18,19).
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile?
2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 80554704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).