N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

C19H19N7O2 — CID 72867790

IUPACN-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
SMILESC[C@@H](C(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1)n1cnnn1
InChIInChI=1S/C19H19N7O2/c1-13(26-12-21-23-24-26)19(28)25-9-7-14-5-6-16(10-15(14)11-25)22-18(27)17-4-2-3-8-20-17/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,22,27)/t13-/m0/s1
InChIKeyBYPPDMUAZNFIAE-ZDUSSCGKSA-N
MW377.41 g/mol
LogP1.47
Rot. Bonds4

About N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide (PubChem CID 72867790) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
PubChem CID72867790
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
SMILESC[C@@H](C(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1)n1cnnn1
InChIInChI=1S/C19H19N7O2/c1-13(26-12-21-23-24-26)19(28)25-9-7-14-5-6-16(10-15(14)11-25)22-18(27)17-4-2-3-8-20-17/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,22,27)/t13-/m0/s1
InChIKeyBYPPDMUAZNFIAE-ZDUSSCGKSA-N
XLogP1.47
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 72891891
N-[2-(1,3-thiazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 42403418
N-[2-(dimethylsulfamoyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 26396409
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-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 25297404
4-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943102
3,4-dimethoxy-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943152
2-chloro-6-fluoro-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943105
2-(2-chlorophenoxy)-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943182
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 56716133
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide
CID 16943068

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide (CID 72867790) is N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide is C[C@@H](C(=O)N1CCc2ccc(NC(=O)c3ccccn3)cc2C1)n1cnnn1.
What is the InChIKey of N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is BYPPDMUAZNFIAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-13(26-12-21-23-24-26)19(28)25-9-7-14-5-6-16(10-15(14)11-25)22-18(27)17-4-2-3-8-20-17/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,22,27)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide?
N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(tetrazol-1-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 72867790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).