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

C20H21N3O2 — CID 663788

IUPACN-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)23(19(25)15-8-6-10-21-12-15)13-16-11-14-7-4-5-9-17(14)22-18(16)24/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyAEUXBGJQRUFIIB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.36
Rot. Bonds3

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

N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 663788) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID663788
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
SMILESCC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)23(19(25)15-8-6-10-21-12-15)13-16-11-14-7-4-5-9-17(14)22-18(16)24/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyAEUXBGJQRUFIIB-UHFFFAOYSA-N
XLogP3.36
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
Daporinad
CID 6914657
Nifenazone
CID 4487
Niaprazine
CID 71919
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007
N-(4-pyridyl)benzamide
CID 78893
6-(Phenylamino)-5,8-quinolinedione
CID 3976
N-(3-Pyridyl)nicotinamide
CID 202725
Nicotinanilide
CID 74463
2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide (CID 663788) is N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide is CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1.
What is the InChIKey of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is AEUXBGJQRUFIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)23(19(25)15-8-6-10-21-12-15)13-16-11-14-7-4-5-9-17(14)22-18(16)24/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide?
N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 663788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).