6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide

C26H26N4O3 — CID 123565135

IUPAC6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(C)ccc3c2=O)cn1
InChIInChI=1S/C26H26N4O3/c1-18-8-10-22-23(14-18)30(21-6-4-3-5-7-21)17-20(25(22)31)16-29-26(32)19-9-11-24(28-15-19)27-12-13-33-2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28)(H,29,32)
InChIKeyMCOUVKILHZYULO-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.68
Rot. Bonds8

About 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide

6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 123565135) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID123565135
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(C)ccc3c2=O)cn1
InChIInChI=1S/C26H26N4O3/c1-18-8-10-22-23(14-18)30(21-6-4-3-5-7-21)17-20(25(22)31)16-29-26(32)19-9-11-24(28-15-19)27-12-13-33-2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28)(H,29,32)
InChIKeyMCOUVKILHZYULO-UHFFFAOYSA-N
XLogP3.68
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-methoxypyridine-3-carboxamide
CID 71208877
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
tert-butyl 8-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-5,8-diazatricyclo[4.2.0.01,3]octane-5-carboxylate
CID 71230433
3-chloro-N-[(7-methoxy-4-oxo-1-phenylquinolin-3-yl)methyl]benzamide
CID 141352866
tert-butyl 5-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 71209027
tert-butyl (1S,4S)-5-[5-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methylcarbamoyl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 71208393
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-4-(4-hydroxy-4-methylpentanoyl)benzamide
CID 152823113
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 71217358
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
N-(3-methoxypropyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109153274
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide (CID 123565135) is 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide is COCCNc1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(C)ccc3c2=O)cn1.
What is the InChIKey of 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MCOUVKILHZYULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18-8-10-22-23(14-18)30(21-6-4-3-5-7-21)17-20(25(22)31)16-29-26(32)19-9-11-24(28-15-19)27-12-13-33-2/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28)(H,29,32).
What are the key properties of 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide?
6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-N-[(7-methyl-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 123565135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).