3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide

C23H24N4O4 — CID 90738182

IUPAC3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(-c2cccc(CNC(=O)c3ncccc3C)c2)o1
InChIInChI=1S/C23H24N4O4/c1-14-6-5-11-25-20(14)23(30)26-13-16-7-4-8-17(12-16)18-9-10-19(31-18)22(29)27-15(2)21(28)24-3/h4-12,15H,13H2,1-3H3,(H,24,28)(H,26,30)(H,27,29)
InChIKeySTDBVAOIEWFFQR-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.44
Rot. Bonds7

About 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide

3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 90738182) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID90738182
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(-c2cccc(CNC(=O)c3ncccc3C)c2)o1
InChIInChI=1S/C23H24N4O4/c1-14-6-5-11-25-20(14)23(30)26-13-16-7-4-8-17(12-16)18-9-10-19(31-18)22(29)27-15(2)21(28)24-3/h4-12,15H,13H2,1-3H3,(H,24,28)(H,26,30)(H,27,29)
InChIKeySTDBVAOIEWFFQR-UHFFFAOYSA-N
XLogP2.44
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide
CID 46207129
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
CID 70226757
1,5-dimethyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazole-3-carboxamide
CID 46207355
5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 149458434
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994822
5-[3-[[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 70225485
2-methyl-N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carboxamide
CID 76807302
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-2-carboxamide
CID 46207181
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide (CID 90738182) is 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide is CNC(=O)C(C)NC(=O)c1ccc(-c2cccc(CNC(=O)c3ncccc3C)c2)o1.
What is the InChIKey of 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is STDBVAOIEWFFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-14-6-5-11-25-20(14)23(30)26-13-16-7-4-8-17(12-16)18-9-10-19(31-18)22(29)27-15(2)21(28)24-3/h4-12,15H,13H2,1-3H3,(H,24,28)(H,26,30)(H,27,29).
What are the key properties of 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide?
3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 90738182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).