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

C17H19N3O — CID 63306571

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1cccnc1CNC(=O)C1NCCc2ccccc21
InChIInChI=1S/C17H19N3O/c1-12-5-4-9-18-15(12)11-20-17(21)16-14-7-3-2-6-13(14)8-10-19-16/h2-7,9,16,19H,8,10-11H2,1H3,(H,20,21)
InChIKeyVDPGBIBLJHAMAI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.89
Rot. Bonds3

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

N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 63306571) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID63306571
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1cccnc1CNC(=O)C1NCCc2ccccc21
InChIInChI=1S/C17H19N3O/c1-12-5-4-9-18-15(12)11-20-17(21)16-14-7-3-2-6-13(14)8-10-19-16/h2-7,9,16,19H,8,10-11H2,1H3,(H,20,21)
InChIKeyVDPGBIBLJHAMAI-UHFFFAOYSA-N
XLogP1.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 63306571) is N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is Cc1cccnc1CNC(=O)C1NCCc2ccccc21.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is VDPGBIBLJHAMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-4-9-18-15(12)11-20-17(21)16-14-7-3-2-6-13(14)8-10-19-16/h2-7,9,16,19H,8,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 63306571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).