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

C18H21N3O2 — CID 76903264

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)c1cccnc1
InChIInChI=1S/C18H21N3O2/c22-17(11-20-18(23)15-6-3-8-19-10-15)13-21-9-7-14-4-1-2-5-16(14)12-21/h1-6,8,10,17,22H,7,9,11-13H2,(H,20,23)
InChIKeySRYPHXUPUJSJFV-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.23
Rot. Bonds5

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

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 76903264) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID76903264
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)c1cccnc1
InChIInChI=1S/C18H21N3O2/c22-17(11-20-18(23)15-6-3-8-19-10-15)13-21-9-7-14-4-1-2-5-16(14)12-21/h1-6,8,10,17,22H,7,9,11-13H2,(H,20,23)
InChIKeySRYPHXUPUJSJFV-UHFFFAOYSA-N
XLogP1.23
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Daporinad
CID 6914657
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
Phenatine
CID 120640
N-Phenethyl-nicotinamide
CID 668779
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903444
Gsk591
CID 117072552
N-(cyclohexylmethyl)nicotinamide
CID 2990659
N-(1-methyl-3-phenylpropyl)nicotinamide
CID 3246803
N-(2-hydroxyethyl)nicotinamide
CID 72663
Nicofetamide
CID 3033975
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-3-carboxamide dihydrochloride
CID 14783882

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide (CID 76903264) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide is O=C(NCC(O)CN1CCc2ccccc2C1)c1cccnc1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is SRYPHXUPUJSJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(11-20-18(23)15-6-3-8-19-10-15)13-21-9-7-14-4-1-2-5-16(14)12-21/h1-6,8,10,17,22H,7,9,11-13H2,(H,20,23).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 76903264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).