N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H15N5O — CID 75518844

IUPACN-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1nc2ccccn2n1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15N5O/c22-16(18-15-17-14-7-3-4-9-21(14)19-15)20-10-8-12-5-1-2-6-13(12)11-20/h1-7,9H,8,10-11H2,(H,18,19,22)
InChIKeyMGCAZGRTSKWXOK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.32
Rot. Bonds1

About N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 75518844) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID75518844
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1nc2ccccn2n1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15N5O/c22-16(18-15-17-14-7-3-4-9-21(14)19-15)20-10-8-12-5-1-2-6-13(12)11-20/h1-7,9H,8,10-11H2,(H,18,19,22)
InChIKeyMGCAZGRTSKWXOK-UHFFFAOYSA-N
XLogP2.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

4-phenoxy-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide
CID 167953706
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enamide
CID 154766209
N-[4-(diethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989160
N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 2942390
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide
CID 690423
N-(5-phenyl-1,2-oxazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108812671
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 75518844) is N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1nc2ccccn2n1)N1CCc2ccccc2C1.
What is the InChIKey of N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is MGCAZGRTSKWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(18-15-17-14-7-3-4-9-21(14)19-15)20-10-8-12-5-1-2-6-13(12)11-20/h1-7,9H,8,10-11H2,(H,18,19,22).
What are the key properties of N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 75518844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).