N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide

C27H30N4O4 — CID 76807316

IUPACN-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cncc(C)c3)cc2)o1)C1CCCCC1
InChIInChI=1S/C27H30N4O4/c1-17-14-20(16-29-15-17)25(32)30-21-10-8-18(9-11-21)22-12-13-23(35-22)26(33)31-24(27(34)28-2)19-6-4-3-5-7-19/h8-16,19,24H,3-7H2,1-2H3,(H,28,34)(H,30,32)(H,31,33)
InChIKeyJOZUYVYRJXDDJV-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.33
Rot. Bonds7

About N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide

N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 76807316) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID76807316
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cncc(C)c3)cc2)o1)C1CCCCC1
InChIInChI=1S/C27H30N4O4/c1-17-14-20(16-29-15-17)25(32)30-21-10-8-18(9-11-21)22-12-13-23(35-22)26(33)31-24(27(34)28-2)19-6-4-3-5-7-19/h8-16,19,24H,3-7H2,1-2H3,(H,28,34)(H,30,32)(H,31,33)
InChIKeyJOZUYVYRJXDDJV-UHFFFAOYSA-N
XLogP4.33
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70225462
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807293
5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 77185504
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
CID 70667111
N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide
CID 58505373
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
CID 70669277
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
CID 58492138

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide (CID 76807316) is N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(NC(=O)c3cncc(C)c3)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is JOZUYVYRJXDDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-17-14-20(16-29-15-17)25(32)30-21-10-8-18(9-11-21)22-12-13-23(35-22)26(33)31-24(27(34)28-2)19-6-4-3-5-7-19/h8-16,19,24H,3-7H2,1-2H3,(H,28,34)(H,30,32)(H,31,33).
What are the key properties of N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide?
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 76807316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).