N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H17N3O — CID 104557961

IUPACN-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCNC3)nc1
InChIInChI=1S/C16H17N3O/c1-11-5-6-15(18-9-11)19-16(20)14-4-2-3-12-10-17-8-7-13(12)14/h2-6,9,17H,7-8,10H2,1H3,(H,18,19,20)
InChIKeyLLYNKSWTLFJPCI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.29
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557961) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557961
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCNC3)nc1
InChIInChI=1S/C16H17N3O/c1-11-5-6-15(18-9-11)19-16(20)14-4-2-3-12-10-17-8-7-13(12)14/h2-6,9,17H,7-8,10H2,1H3,(H,18,19,20)
InChIKeyLLYNKSWTLFJPCI-UHFFFAOYSA-N
XLogP2.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167985312
N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167745801
2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557961) is N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is Cc1ccc(NC(=O)c2cccc3c2CCNC3)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is LLYNKSWTLFJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-5-6-15(18-9-11)19-16(20)14-4-2-3-12-10-17-8-7-13(12)14/h2-6,9,17H,7-8,10H2,1H3,(H,18,19,20).
What are the key properties of N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).