N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide

C23H24N4O — CID 109258326

IUPACN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C23H24N4O/c1-2-26(16-18-8-4-3-5-9-18)22(28)21-14-24-23(25-15-21)27-13-12-19-10-6-7-11-20(19)17-27/h3-11,14-15H,2,12-13,16-17H2,1H3
InChIKeyVENLYRIOMIIVBW-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.70
Rot. Bonds5

About N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide (PubChem CID 109258326) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
PubChem CID109258326
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C23H24N4O/c1-2-26(16-18-8-4-3-5-9-18)22(28)21-14-24-23(25-15-21)27-13-12-19-10-6-7-11-20(19)17-27/h3-11,14-15H,2,12-13,16-17H2,1H3
InChIKeyVENLYRIOMIIVBW-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109259769
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
CID 109282732
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329545
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylic acid
CID 82299175
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108988971
2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
CID 109262360
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109259767
[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
N-benzyl-2-(cyclohexylamino)-N-ethylpyrimidine-5-carboxamide
CID 109250486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide (CID 109258326) is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide?
The InChIKey is VENLYRIOMIIVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-26(16-18-8-4-3-5-9-18)22(28)21-14-24-23(25-15-21)27-13-12-19-10-6-7-11-20(19)17-27/h3-11,14-15H,2,12-13,16-17H2,1H3.
What are the key properties of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide?
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109258326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).