N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide

C26H28N4O4 — CID 22004429

IUPACN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccccc1NC(=O)c1ccncc1)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C26H28N4O4/c1-4-30(29-14-11-19-15-23(33-2)24(34-3)16-20(19)17-29)26(32)21-7-5-6-8-22(21)28-25(31)18-9-12-27-13-10-18/h5-10,12-13,15-16H,4,11,14,17H2,1-3H3,(H,28,31)
InChIKeyLRUNKYDBULSJRJ-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.79
Rot. Bonds7

About N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide

N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 22004429) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID22004429
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide
SMILESCCN(C(=O)c1ccccc1NC(=O)c1ccncc1)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C26H28N4O4/c1-4-30(29-14-11-19-15-23(33-2)24(34-3)16-20(19)17-29)26(32)21-7-5-6-8-22(21)28-25(31)18-9-12-27-13-10-18/h5-10,12-13,15-16H,4,11,14,17H2,1-3H3,(H,28,31)
InChIKeyLRUNKYDBULSJRJ-UHFFFAOYSA-N
XLogP3.79
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[(4-cyclohexylbenzoyl)amino]-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
CID 22004573
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzamide
CID 38410068
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyridine-4-carboxamide
CID 109174994
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 52907888
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]-2-methylbenzamide
CID 22004551
N-[(2-ethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzamide
CID 42825556
N-[4,5-dimethoxy-2-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 118913487
N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide
CID 141275639

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide (CID 22004429) is N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide is CCN(C(=O)c1ccccc1NC(=O)c1ccncc1)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is LRUNKYDBULSJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-4-30(29-14-11-19-15-23(33-2)24(34-3)16-20(19)17-29)26(32)21-7-5-6-8-22(21)28-25(31)18-9-12-27-13-10-18/h5-10,12-13,15-16H,4,11,14,17H2,1-3H3,(H,28,31).
What are the key properties of N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide?
N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethylcarbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 22004429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).