N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide

C21H23N3O3 — CID 4554966

IUPACN-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc2cc(CN(C(=O)c3cccnc3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)15-6-5-9-22-12-15)13-16-10-14-7-8-17(27-4)11-18(14)23-19(16)25/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyVQDYWQLKFUAKJT-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds4

About N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide

N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 4554966) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID4554966
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc2cc(CN(C(=O)c3cccnc3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)15-6-5-9-22-12-15)13-16-10-14-7-8-17(27-4)11-18(14)23-19(16)25/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyVQDYWQLKFUAKJT-UHFFFAOYSA-N
XLogP3.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
CID 1422142
N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421821
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 1391706
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703
N-(2,4-dimethylphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1425253
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326044
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 3792092
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 1137542
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 3796876
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methoxyphenyl)acetamide
CID 5036839
N-tert-butyl-4-chloro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1397603

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide (CID 4554966) is N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide is COc1ccc2cc(CN(C(=O)c3cccnc3)C(C)(C)C)c(=O)[nH]c2c1.
What is the InChIKey of N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VQDYWQLKFUAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)15-6-5-9-22-12-15)13-16-10-14-7-8-17(27-4)11-18(14)23-19(16)25/h5-12H,13H2,1-4H3,(H,23,25).
What are the key properties of N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 4554966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).