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

C21H21N5O2 — CID 72891891

IUPACN-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)n1
InChIInChI=1S/C21H21N5O2/c1-2-26-12-9-19(24-26)21(28)25-11-8-15-6-7-17(13-16(15)14-25)23-20(27)18-5-3-4-10-22-18/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,23,27)
InChIKeyFLYUIRUDWAHIGS-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.75
Rot. Bonds4

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

N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide (PubChem CID 72891891) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
PubChem CID72891891
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
SMILESCCn1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)n1
InChIInChI=1S/C21H21N5O2/c1-2-26-12-9-19(24-26)21(28)25-11-8-15-6-7-17(13-16(15)14-25)23-20(27)18-5-3-4-10-22-18/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,23,27)
InChIKeyFLYUIRUDWAHIGS-UHFFFAOYSA-N
XLogP2.75
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 42403418
N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 72867790
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-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 26396409
[6-(benzylamino)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone
CID 135359074
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-diethoxybenzamide
CID 16943640
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
1-ethyl-N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)pyrazole-3-carboxamide
CID 71842967
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925
N-[2-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 25297404
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide (CID 72891891) is N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide is CCn1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccccn4)cc3C2)n1.
What is the InChIKey of N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is FLYUIRUDWAHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-2-26-12-9-19(24-26)21(28)25-11-8-15-6-7-17(13-16(15)14-25)23-20(27)18-5-3-4-10-22-18/h3-7,9-10,12-13H,2,8,11,14H2,1H3,(H,23,27).
What are the key properties of N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 72891891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).