5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide

C20H20N4O4 — CID 139538189

IUPAC5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc3nc(C)oc23)c1=O
InChIInChI=1S/C20H20N4O4/c1-11-22-16-5-3-4-12(17(16)28-11)9-24-10-13(18(25)23-14-6-7-14)8-15(20(24)27)19(26)21-2/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyXVFMDJTYEKUUNI-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.60
Rot. Bonds5

About 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide

5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 139538189) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID139538189
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc3nc(C)oc23)c1=O
InChIInChI=1S/C20H20N4O4/c1-11-22-16-5-3-4-12(17(16)28-11)9-24-10-13(18(25)23-14-6-7-14)8-15(20(24)27)19(26)21-2/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyXVFMDJTYEKUUNI-UHFFFAOYSA-N
XLogP1.60
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-N-cyclopropyl-1-[[3-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538194
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097
tert-butyl 4-[[5-(cyclobutylcarbamoyl)-3-(methylcarbamoyl)-2-oxo-1-pyridinyl]methyl]benzimidazole-1-carboxylate
CID 135323903
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 135323708
5-N-cyclopropyl-1-[[3-(difluoromethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538193
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethyl)pyridine-3,5-dicarboxamide
CID 126648655
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 160751472
1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676370
5-(2-cyclopropylacetyl)-N-methyl-1-[(2-methyl-1H-benzimidazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 158748068
5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676861

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide (CID 139538189) is 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc3nc(C)oc23)c1=O.
What is the InChIKey of 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is XVFMDJTYEKUUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-11-22-16-5-3-4-12(17(16)28-11)9-24-10-13(18(25)23-14-6-7-14)8-15(20(24)27)19(26)21-2/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-methyl-1-[(2-methyl-1,3-benzoxazol-7-yl)methyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 139538189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).