N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide

C28H34N4O3 — CID 90996167

IUPACN-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide
SMILESCNCC(NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C)n3)c2)o1)C1CCCCC1
InChIInChI=1S/C28H34N4O3/c1-19-8-6-13-23(31-19)27(33)30-17-20-9-7-12-22(16-20)25-14-15-26(35-25)28(34)32-24(18-29-2)21-10-4-3-5-11-21/h6-9,12-16,21,24,29H,3-5,10-11,17-18H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyFXSOCHAMWIUCJF-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.48
Rot. Bonds9

About N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide

N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide (PubChem CID 90996167) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide
PubChem CID90996167
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide
SMILESCNCC(NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C)n3)c2)o1)C1CCCCC1
InChIInChI=1S/C28H34N4O3/c1-19-8-6-13-23(31-19)27(33)30-17-20-9-7-12-22(16-20)25-14-15-26(35-25)28(34)32-24(18-29-2)21-10-4-3-5-11-21/h6-9,12-16,21,24,29H,3-5,10-11,17-18H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyFXSOCHAMWIUCJF-UHFFFAOYSA-N
XLogP4.48
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide
CID 90786943
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide
CID 58505373
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
N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-2-carboxamide
CID 46207181
5-[3-[(cyclohexanecarbonylamino)methyl]phenyl]-N-[2-(methylamino)-2-oxoethyl]furan-2-carboxamide;propane
CID 143994876
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
CID 70226757
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 76807347
N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 91345166
3-methyl-N-[[3-[5-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-2-carboxamide
CID 90738182

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide (CID 90996167) is N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide is CNCC(NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccc(C)n3)c2)o1)C1CCCCC1.
What is the InChIKey of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FXSOCHAMWIUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-19-8-6-13-23(31-19)27(33)30-17-20-9-7-12-22(16-20)25-14-15-26(35-25)28(34)32-24(18-29-2)21-10-4-3-5-11-21/h6-9,12-16,21,24,29H,3-5,10-11,17-18H2,1-2H3,(H,30,33)(H,32,34).
What are the key properties of N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide?
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[[1-cyclohexyl-2-(methylamino)ethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 90996167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).