2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

C17H19N3O — CID 173232418

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCc1cccc(CN2CCc3ccccc3C2C(N)=O)n1
InChIInChI=1S/C17H19N3O/c1-12-5-4-7-14(19-12)11-20-10-9-13-6-2-3-8-15(13)16(20)17(18)21/h2-8,16H,9-11H2,1H3,(H2,18,21)
InChIKeyQSZLRJALAHONHO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.97
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 173232418) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID173232418
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCc1cccc(CN2CCc3ccccc3C2C(N)=O)n1
InChIInChI=1S/C17H19N3O/c1-12-5-4-7-14(19-12)11-20-10-9-13-6-2-3-8-15(13)16(20)17(18)21/h2-8,16H,9-11H2,1H3,(H2,18,21)
InChIKeyQSZLRJALAHONHO-UHFFFAOYSA-N
XLogP1.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95980856
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
(1S)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95303271
2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173081049
2-[(2-amino-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 167985421
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232682
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
CID 79261566
(3S)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895930
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propan-1-one
CID 74229715
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232200

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 173232418) is 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is Cc1cccc(CN2CCc3ccccc3C2C(N)=O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is QSZLRJALAHONHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-4-7-14(19-12)11-20-10-9-13-6-2-3-8-15(13)16(20)17(18)21/h2-8,16H,9-11H2,1H3,(H2,18,21).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 173232418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).