2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide

C21H18N4O2 — CID 46987595

IUPAC2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3cc(-c4cccnc4)no3)cc2c1
InChIInChI=1S/C21H18N4O2/c1-13-5-6-19-16(8-13)9-18(14(2)24-19)21(26)23-12-17-10-20(25-27-17)15-4-3-7-22-11-15/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyOBOPTPVEULXMAP-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.83
Rot. Bonds4

About 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide

2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide (PubChem CID 46987595) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
PubChem CID46987595
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3cc(-c4cccnc4)no3)cc2c1
InChIInChI=1S/C21H18N4O2/c1-13-5-6-19-16(8-13)9-18(14(2)24-19)21(26)23-12-17-10-20(25-27-17)15-4-3-7-22-11-15/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyOBOPTPVEULXMAP-UHFFFAOYSA-N
XLogP3.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-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-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110850532
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 91776197
2-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetic acid
CID 82282715
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 154564689
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
CID 51283562
ethane;5-ethyl-3-pyridin-3-yl-1,2-oxazole
CID 143675921
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 50983094
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 46992098
N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-4-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171709577

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide (CID 46987595) is 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCc3cc(-c4cccnc4)no3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide?
The InChIKey is OBOPTPVEULXMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13-5-6-19-16(8-13)9-18(14(2)24-19)21(26)23-12-17-10-20(25-27-17)15-4-3-7-22-11-15/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 46987595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).