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

C21H23N3O3 — CID 1422142

IUPACN-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc2cc(CN(C(=O)c3ccccn3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)17-7-5-6-10-22-17)13-15-11-14-8-9-16(27-4)12-18(14)23-19(15)25/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyGTMRGDAJVNRLLU-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-2-carboxamide

N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 1422142) 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-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
PubChem CID1422142
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-2-carboxamide
SMILESCOc1ccc2cc(CN(C(=O)c3ccccn3)C(C)(C)C)c(=O)[nH]c2c1
InChIInChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)17-7-5-6-10-22-17)13-15-11-14-8-9-16(27-4)12-18(14)23-19(15)25/h5-12H,13H2,1-4H3,(H,23,25)
InChIKeyGTMRGDAJVNRLLU-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-2-carboxamide with MolForge

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Related Compounds

N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 4554966
N-tert-butyl-3,4,5-triethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421821
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3618385
2-ethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 3442794
N-ethyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
CID 1396367
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methoxyphenyl)acetamide
CID 5036839
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
2-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3194117
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 3430411
N-(oxolan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide
CID 4887568

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide (CID 1422142) is N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide is COc1ccc2cc(CN(C(=O)c3ccccn3)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-2-carboxamide?
The InChIKey is GTMRGDAJVNRLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2,3)24(20(26)17-7-5-6-10-22-17)13-15-11-14-8-9-16(27-4)12-18(14)23-19(15)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-2-carboxamide?
N-tert-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-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-2-carboxamide is sourced from PubChem (CID 1422142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).