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

C15H14N4 — CID 80554473

IUPAC4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cccc3c2CCNC3)ccn1
InChIInChI=1S/C15H14N4/c16-9-13-8-12(4-7-18-13)19-15-3-1-2-11-10-17-6-5-14(11)15/h1-4,7-8,17H,5-6,10H2,(H,18,19)
InChIKeyXWDFGUFSWCAKAB-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.34
Rot. Bonds2

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

4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile (PubChem CID 80554473) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile
PubChem CID80554473
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2cccc3c2CCNC3)ccn1
InChIInChI=1S/C15H14N4/c16-9-13-8-12(4-7-18-13)19-15-3-1-2-11-10-17-6-5-14(11)15/h1-4,7-8,17H,5-6,10H2,(H,18,19)
InChIKeyXWDFGUFSWCAKAB-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 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile (CID 80554473) is 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile is N#Cc1cc(Nc2cccc3c2CCNC3)ccn1.
What is the InChIKey of 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile?
The InChIKey is XWDFGUFSWCAKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-9-13-8-12(4-7-18-13)19-15-3-1-2-11-10-17-6-5-14(11)15/h1-4,7-8,17H,5-6,10H2,(H,18,19).
What are the key properties of 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile?
4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-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 4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 80554473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).