6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C23H23N3O — CID 84571049

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cc1
InChIInChI=1S/C23H23N3O/c1-17-6-8-18(9-7-17)14-25-23(27)20-10-11-22(24-15-20)26-13-12-19-4-2-3-5-21(19)16-26/h2-11,15H,12-14,16H2,1H3,(H,25,27)
InChIKeyWBEXSRBYQVPPAQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.88
Rot. Bonds4

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 84571049) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID84571049
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cc1
InChIInChI=1S/C23H23N3O/c1-17-6-8-18(9-7-17)14-25-23(27)20-10-11-22(24-15-20)26-13-12-19-4-2-3-5-21(19)16-26/h2-11,15H,12-14,16H2,1H3,(H,25,27)
InChIKeyWBEXSRBYQVPPAQ-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55801262
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzamide
CID 55801413
3-amino-N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 47059036
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
N-[2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55858511
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55801199
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55801389
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 84571048
1-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(pyrimidin-2-ylamino)urea
CID 87005106

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 84571049) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(N3CCc4ccccc4C3)nc2)cc1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WBEXSRBYQVPPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-6-8-18(9-7-17)14-25-23(27)20-10-11-22(24-15-20)26-13-12-19-4-2-3-5-21(19)16-26/h2-11,15H,12-14,16H2,1H3,(H,25,27).
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 84571049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).