N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide

C27H35N3O2 — CID 78233599

IUPACN-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1CCN(CC1CC2C(C)CCC(C)C2NC1=O)C(=O)c1ccncc1
InChIInChI=1S/C27H35N3O2/c1-18-6-4-5-7-21(18)12-15-30(27(32)22-10-13-28-14-11-22)17-23-16-24-19(2)8-9-20(3)25(24)29-26(23)31/h4-7,10-11,13-14,19-20,23-25H,8-9,12,15-17H2,1-3H3,(H,29,31)
InChIKeyIVQRWEARNWWTEH-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.26
Rot. Bonds6

About N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide

N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 78233599) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID78233599
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccccc1CCN(CC1CC2C(C)CCC(C)C2NC1=O)C(=O)c1ccncc1
InChIInChI=1S/C27H35N3O2/c1-18-6-4-5-7-21(18)12-15-30(27(32)22-10-13-28-14-11-22)17-23-16-24-19(2)8-9-20(3)25(24)29-26(23)31/h4-7,10-11,13-14,19-20,23-25H,8-9,12,15-17H2,1-3H3,(H,29,31)
InChIKeyIVQRWEARNWWTEH-UHFFFAOYSA-N
XLogP4.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42394839
(5S)-3-azabicyclo[3.2.1]octane;ethyl-[2-(2-methylphenyl)ethyl]carbamic acid;fluorobenzene
CID 170615838
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 1383260
2-(2-methylphenyl)ethyl-propylcarbamic acid
CID 144705989
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide (CID 78233599) is N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide is Cc1ccccc1CCN(CC1CC2C(C)CCC(C)C2NC1=O)C(=O)c1ccncc1.
What is the InChIKey of N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is IVQRWEARNWWTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-18-6-4-5-7-21(18)12-15-30(27(32)22-10-13-28-14-11-22)17-23-16-24-19(2)8-9-20(3)25(24)29-26(23)31/h4-7,10-11,13-14,19-20,23-25H,8-9,12,15-17H2,1-3H3,(H,29,31).
What are the key properties of N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide?
N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 78233599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).