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

C16H16ClN3O — CID 104558700

IUPACN-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C16H16ClN3O/c1-10-5-8-19-15(17)14(10)20-16(21)13-4-2-3-11-9-18-7-6-12(11)13/h2-5,8,18H,6-7,9H2,1H3,(H,20,21)
InChIKeyMPQCNRQYDQYWQQ-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.94
Rot. Bonds2

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

N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558700) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558700
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC NameN-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1ccnc(Cl)c1NC(=O)c1cccc2c1CCNC2
InChIInChI=1S/C16H16ClN3O/c1-10-5-8-19-15(17)14(10)20-16(21)13-4-2-3-11-9-18-7-6-12(11)13/h2-5,8,18H,6-7,9H2,1H3,(H,20,21)
InChIKeyMPQCNRQYDQYWQQ-UHFFFAOYSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557984
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
N-(2-chloro-4-methyl-3-pyridinyl)-2-iodobenzamide
CID 65488908
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901
N-(4-chloro-3-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558127
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558700) is N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is Cc1ccnc(Cl)c1NC(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is MPQCNRQYDQYWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-5-8-19-15(17)14(10)20-16(21)13-4-2-3-11-9-18-7-6-12(11)13/h2-5,8,18H,6-7,9H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).