N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide

C22H22N4O4 — CID 91345166

IUPACN-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncc3)c2)o1
InChIInChI=1S/C22H22N4O4/c1-14(20(27)23-2)26-22(29)19-7-6-18(30-19)17-5-3-4-15(12-17)13-25-21(28)16-8-10-24-11-9-16/h3-12,14H,13H2,1-2H3,(H,23,27)(H,25,28)(H,26,29)
InChIKeySSQFODMVZFKJCT-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.14
Rot. Bonds7

About N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide

N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 91345166) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID91345166
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncc3)c2)o1
InChIInChI=1S/C22H22N4O4/c1-14(20(27)23-2)26-22(29)19-7-6-18(30-19)17-5-3-4-15(12-17)13-25-21(28)16-8-10-24-11-9-16/h3-12,14H,13H2,1-2H3,(H,23,27)(H,25,28)(H,26,29)
InChIKeySSQFODMVZFKJCT-UHFFFAOYSA-N
XLogP2.14
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
CID 90738182
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
CID 70226757
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridazine-3-carboxamide
CID 46207129
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-fluoro-3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 70225485
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
5-[3-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 143994860
5-(3,4-diaminophenyl)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 149458434
2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994822
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
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-2-carboxamide
CID 46207181
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide (CID 91345166) is N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide is CNC(=O)C(C)NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccncc3)c2)o1.
What is the InChIKey of N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is SSQFODMVZFKJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14(20(27)23-2)26-22(29)19-7-6-18(30-19)17-5-3-4-15(12-17)13-25-21(28)16-8-10-24-11-9-16/h3-12,14H,13H2,1-2H3,(H,23,27)(H,25,28)(H,26,29).
What are the key properties of N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide?
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91345166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).