5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C21H19ClN4O2 — CID 56741346

IUPAC5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCc2ccccc2C1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C21H19ClN4O2/c22-18-10-17(12-25-21(18)28)20(27)24-11-15-6-3-8-23-19(15)26-9-7-14-4-1-2-5-16(14)13-26/h1-6,8,10,12H,7,9,11,13H2,(H,24,27)(H,25,28)
InChIKeyCFGKXHQBCCVJEX-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.92
Rot. Bonds4

About 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56741346) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56741346
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1N1CCc2ccccc2C1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C21H19ClN4O2/c22-18-10-17(12-25-21(18)28)20(27)24-11-15-6-3-8-23-19(15)26-9-7-14-4-1-2-5-16(14)13-26/h1-6,8,10,12H,7,9,11,13H2,(H,24,27)(H,25,28)
InChIKeyCFGKXHQBCCVJEX-UHFFFAOYSA-N
XLogP2.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-oxo-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyridine-3-carboxamide
CID 56745926
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-2-amine
CID 56745376
(1R)-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-2,2-diethylcyclopropane-1-carboxamide
CID 95219729
2-[3-(bromomethyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 114056909
N-[[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-pyridinyl]methyl]ethanamine
CID 63152821
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262
2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-3-carboxamide
CID 75374187
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233544
6-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 56749686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56741346) is 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1cccnc1N1CCc2ccccc2C1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CFGKXHQBCCVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-18-10-17(12-25-21(18)28)20(27)24-11-15-6-3-8-23-19(15)26-9-7-14-4-1-2-5-16(14)13-26/h1-6,8,10,12H,7,9,11,13H2,(H,24,27)(H,25,28).
What are the key properties of 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56741346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).