3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H17N3O — CID 82584602

IUPAC3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1NCc2ccccc2C1C(=O)Nc1ccncc1
InChIInChI=1S/C16H17N3O/c1-11-15(14-5-3-2-4-12(14)10-18-11)16(20)19-13-6-8-17-9-7-13/h2-9,11,15,18H,10H2,1H3,(H,17,19,20)
InChIKeyHDJPSBQQGVIGKK-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 82584602) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID82584602
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1NCc2ccccc2C1C(=O)Nc1ccncc1
InChIInChI=1S/C16H17N3O/c1-11-15(14-5-3-2-4-12(14)10-18-11)16(20)19-13-6-8-17-9-7-13/h2-9,11,15,18H,10H2,1H3,(H,17,19,20)
InChIKeyHDJPSBQQGVIGKK-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 82584602) is 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC1NCc2ccccc2C1C(=O)Nc1ccncc1.
What is the InChIKey of 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is HDJPSBQQGVIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-15(14-5-3-2-4-12(14)10-18-11)16(20)19-13-6-8-17-9-7-13/h2-9,11,15,18H,10H2,1H3,(H,17,19,20).
What are the key properties of 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 82584602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).