N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

C24H26N4O2 — CID 127038978

IUPACN-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C24H26N4O2/c1-3-13-30-21-9-7-20-16-28(12-11-18(20)14-21)23-10-8-19(15-25-23)24(29)27-22-6-4-5-17(2)26-22/h4-10,14-15H,3,11-13,16H2,1-2H3,(H,26,27,29)
InChIKeyUQJKHCIAKGGWCM-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.39
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 127038978) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID127038978
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C24H26N4O2/c1-3-13-30-21-9-7-20-16-28(12-11-18(20)14-21)23-10-8-19(15-25-23)24(29)27-22-6-4-5-17(2)26-22/h4-10,14-15H,3,11-13,16H2,1-2H3,(H,26,27,29)
InChIKeyUQJKHCIAKGGWCM-UHFFFAOYSA-N
XLogP4.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
2-(6-chloropyrazin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394749
2-(4-methylpyrimidin-2-yl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394769
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
2-(4-methyl-5-nitro-2-pyridinyl)-6-propoxy-3,4-dihydro-1H-isoquinoline
CID 133394734
5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133394689
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
3-methyl-5-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-thiadiazole
CID 133394788
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-amino-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 62060328
2-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133394633

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 127038978) is N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is CCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is UQJKHCIAKGGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-13-30-21-9-7-20-16-28(12-11-18(20)14-21)23-10-8-19(15-25-23)24(29)27-22-6-4-5-17(2)26-22/h4-10,14-15H,3,11-13,16H2,1-2H3,(H,26,27,29).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 127038978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).