N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

C19H16N4O2S — CID 42403418

IUPACN-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)c1cncs1)CC2)c1ccccn1
InChIInChI=1S/C19H16N4O2S/c24-18(16-3-1-2-7-21-16)22-15-5-4-13-6-8-23(11-14(13)9-15)19(25)17-10-20-12-26-17/h1-5,7,9-10,12H,6,8,11H2,(H,22,24)
InChIKeyWEKZGKKWJQZLSL-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.99
Rot. Bonds3

About N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide (PubChem CID 42403418) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
PubChem CID42403418
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)c1cncs1)CC2)c1ccccn1
InChIInChI=1S/C19H16N4O2S/c24-18(16-3-1-2-7-21-16)22-15-5-4-13-6-8-23(11-14(13)9-15)19(25)17-10-20-12-26-17/h1-5,7,9-10,12H,6,8,11H2,(H,22,24)
InChIKeyWEKZGKKWJQZLSL-UHFFFAOYSA-N
XLogP2.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 72891891
N-[2-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 42286128
N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 72867790
N-[2-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 26396409
N-[2-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 25297404
[6-(benzylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 135359074
3-fluoro-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943374
3,5-dimethoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943329
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-6-yl]pyridine-2-carboxamide
CID 138689596
N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 56716133
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide (CID 42403418) is N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide is O=C(Nc1ccc2c(c1)CN(C(=O)c1cncs1)CC2)c1ccccn1.
What is the InChIKey of N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is WEKZGKKWJQZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-18(16-3-1-2-7-21-16)22-15-5-4-13-6-8-23(11-14(13)9-15)19(25)17-10-20-12-26-17/h1-5,7,9-10,12H,6,8,11H2,(H,22,24).
What are the key properties of N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 42403418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).