N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C15H15N3O — CID 104557847

IUPACN-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc2c1CCNC2
InChIInChI=1S/C15H15N3O/c19-15(18-12-4-2-7-16-10-12)14-5-1-3-11-9-17-8-6-13(11)14/h1-5,7,10,17H,6,8-9H2,(H,18,19)
InChIKeyCOEBKRHGCNQLKN-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.98
Rot. Bonds2

About N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557847) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557847
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(Nc1cccnc1)c1cccc2c1CCNC2
InChIInChI=1S/C15H15N3O/c19-15(18-12-4-2-7-16-10-12)14-5-1-3-11-9-17-8-6-13(11)14/h1-5,7,10,17H,6,8-9H2,(H,18,19)
InChIKeyCOEBKRHGCNQLKN-UHFFFAOYSA-N
XLogP1.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167745801
N-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 114387729
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(4-chloro-3-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558127
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
N-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489199
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557913

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557847) is N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(Nc1cccnc1)c1cccc2c1CCNC2.
What is the InChIKey of N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is COEBKRHGCNQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(18-12-4-2-7-16-10-12)14-5-1-3-11-9-17-8-6-13(11)14/h1-5,7,10,17H,6,8-9H2,(H,18,19).
What are the key properties of N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).