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

C17H19N3O2 — CID 26396591

IUPACN-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(CCO)CC2)c1ccncc1
InChIInChI=1S/C17H19N3O2/c21-10-9-20-8-5-13-1-2-16(11-15(13)12-20)19-17(22)14-3-6-18-7-4-14/h1-4,6-7,11,21H,5,8-10,12H2,(H,19,22)
InChIKeyXQRYFIOAJMENIU-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.68
Rot. Bonds4

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

N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide (PubChem CID 26396591) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
PubChem CID26396591
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(CCO)CC2)c1ccncc1
InChIInChI=1S/C17H19N3O2/c21-10-9-20-8-5-13-1-2-16(11-15(13)12-20)19-17(22)14-3-6-18-7-4-14/h1-4,6-7,11,21H,5,8-10,12H2,(H,19,22)
InChIKeyXQRYFIOAJMENIU-UHFFFAOYSA-N
XLogP1.68
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 28697515
N-[2-[(2-prop-2-enoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 25372072
methyl 2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 82582407
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
N-[2-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 56716133
N-[2-(2-amino-2-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 154796043
2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 26324066
N-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 72860665
N-[2-[(E)-3-pyridin-3-ylprop-2-enoyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 42198262
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide
CID 16942827
3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42292030

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide (CID 26396591) is N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)CN(CCO)CC2)c1ccncc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
The InChIKey is XQRYFIOAJMENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-10-9-20-8-5-13-1-2-16(11-15(13)12-20)19-17(22)14-3-6-18-7-4-14/h1-4,6-7,11,21H,5,8-10,12H2,(H,19,22).
What are the key properties of N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide?
N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 26396591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).