N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H21N3O — CID 110400562

IUPACN-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCNC(=O)N1CCc2ccccc2C1c1cccnc1
InChIInChI=1S/C18H21N3O/c1-2-10-20-18(22)21-12-9-14-6-3-4-8-16(14)17(21)15-7-5-11-19-13-15/h3-8,11,13,17H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyMRFGRTJIWJXSIT-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.15
Rot. Bonds3

About N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110400562) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110400562
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCNC(=O)N1CCc2ccccc2C1c1cccnc1
InChIInChI=1S/C18H21N3O/c1-2-10-20-18(22)21-12-9-14-6-3-4-8-16(14)17(21)15-7-5-11-19-13-15/h3-8,11,13,17H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyMRFGRTJIWJXSIT-UHFFFAOYSA-N
XLogP3.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-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

pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
6-methyl-N-(2-methylpropyl)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110628203
4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylbutanamide
CID 46829598
4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-N-propylbutanamide
CID 129384270
(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400518
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
6,7-dimethoxy-1-phenyl-N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42599232
(1S)-1-phenyl-N-(thietan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166255511
1-propyl-7-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 89475574
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 11617195

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110400562) is N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCCNC(=O)N1CCc2ccccc2C1c1cccnc1.
What is the InChIKey of N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is MRFGRTJIWJXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-10-20-18(22)21-12-9-14-6-3-4-8-16(14)17(21)15-7-5-11-19-13-15/h3-8,11,13,17H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110400562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).