N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide

C21H23N3O4 — CID 109093879

IUPACN-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cccc(C(=O)NC3CC3)n1)CC2
InChIInChI=1S/C21H23N3O4/c1-27-18-10-13-8-9-24(12-14(13)11-19(18)28-2)21(26)17-5-3-4-16(23-17)20(25)22-15-6-7-15/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,22,25)
InChIKeyKZRMEZFCONSYBC-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.19
Rot. Bonds5

About N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide

N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide (PubChem CID 109093879) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
PubChem CID109093879
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1cccc(C(=O)NC3CC3)n1)CC2
InChIInChI=1S/C21H23N3O4/c1-27-18-10-13-8-9-24(12-14(13)11-19(18)28-2)21(26)17-5-3-4-16(23-17)20(25)22-15-6-7-15/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,22,25)
InChIKeyKZRMEZFCONSYBC-UHFFFAOYSA-N
XLogP2.19
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 52907888
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109342032
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 73256951
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide (CID 109093879) is N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide is COc1cc2c(cc1OC)CN(C(=O)c1cccc(C(=O)NC3CC3)n1)CC2.
What is the InChIKey of N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
The InChIKey is KZRMEZFCONSYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-27-18-10-13-8-9-24(12-14(13)11-19(18)28-2)21(26)17-5-3-4-16(23-17)20(25)22-15-6-7-15/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide?
N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109093879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).