N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

C23H29N3O3 — CID 109152489

IUPACN-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)NC3CCCCC3)cn1)CC2
InChIInChI=1S/C23H29N3O3/c1-28-20-12-16-10-11-26(15-18(16)13-21(20)29-2)22-9-8-17(14-24-22)23(27)25-19-6-4-3-5-7-19/h8-9,12-14,19H,3-7,10-11,15H2,1-2H3,(H,25,27)
InChIKeyLJDKVPXPMSCXEK-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.72
Rot. Bonds5

About N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 109152489) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID109152489
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCOc1cc2c(cc1OC)CN(c1ccc(C(=O)NC3CCCCC3)cn1)CC2
InChIInChI=1S/C23H29N3O3/c1-28-20-12-16-10-11-26(15-18(16)13-21(20)29-2)22-9-8-17(14-24-22)23(27)25-19-6-4-3-5-7-19/h8-9,12-14,19H,3-7,10-11,15H2,1-2H3,(H,25,27)
InChIKeyLJDKVPXPMSCXEK-UHFFFAOYSA-N
XLogP3.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109342032
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155413
[2-(cyclohexylamino)pyrimidin-5-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109250522
N-cycloheptyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-amine
CID 112863708
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
CID 109250307
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 109152489) is N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is COc1cc2c(cc1OC)CN(c1ccc(C(=O)NC3CCCCC3)cn1)CC2.
What is the InChIKey of N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is LJDKVPXPMSCXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-28-20-12-16-10-11-26(15-18(16)13-21(20)29-2)22-9-8-17(14-24-22)23(27)25-19-6-4-3-5-7-19/h8-9,12-14,19H,3-7,10-11,15H2,1-2H3,(H,25,27).
What are the key properties of N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109152489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).