2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C23H23N3O2 — CID 51361981

IUPAC2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NCc1ccccn1)C1Cc2ccccc2CN1Cc1ccc(O)cc1
InChIInChI=1S/C23H23N3O2/c27-21-10-8-17(9-11-21)15-26-16-19-6-2-1-5-18(19)13-22(26)23(28)25-14-20-7-3-4-12-24-20/h1-12,22,27H,13-16H2,(H,25,28)
InChIKeyMEKIGVIOQVYNRL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.03
Rot. Bonds5

About 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 51361981) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID51361981
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(NCc1ccccn1)C1Cc2ccccc2CN1Cc1ccc(O)cc1
InChIInChI=1S/C23H23N3O2/c27-21-10-8-17(9-11-21)15-26-16-19-6-2-1-5-18(19)13-22(26)23(28)25-14-20-7-3-4-12-24-20/h1-12,22,27H,13-16H2,(H,25,28)
InChIKeyMEKIGVIOQVYNRL-UHFFFAOYSA-N
XLogP3.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 51361975
[2-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 4264806
(3R)-N'-acetyl-2-benzyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide
CID 94372692
N-butyl-2-[(4-hydroxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 51362628
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
(3S)-2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104896004
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250
(3R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99805158
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136864
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 51362397
(3R)-2-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124750580
(3S)-2-ethyl-N-[(1-propylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95137435

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 51361981) is 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is O=C(NCc1ccccn1)C1Cc2ccccc2CN1Cc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is MEKIGVIOQVYNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21-10-8-17(9-11-21)15-26-16-19-6-2-1-5-18(19)13-22(26)23(28)25-14-20-7-3-4-12-24-20/h1-12,22,27H,13-16H2,(H,25,28).
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 51361981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).