N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide

C29H30N4O5 — CID 70224698

IUPACN-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)ccn2)o1)C1CCCCC1
InChIInChI=1S/C29H30N4O5/c1-30-29(36)26(19-7-3-2-4-8-19)33-28(35)24-12-11-23(38-24)21-15-18(13-14-31-21)17-32-27(34)25-16-20-9-5-6-10-22(20)37-25/h5-6,9-16,19,26H,2-4,7-8,17H2,1H3,(H,30,36)(H,32,34)(H,33,35)
InChIKeyXICKZUNKXAMXQC-UHFFFAOYSA-N
MW514.58 g/mol
LogP4.44
Rot. Bonds8

About N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide

N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 70224698) has the molecular formula C29H30N4O5 and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID70224698
Molecular FormulaC29H30N4O5
Molecular Weight514.58 g/mol
Exact Mass514.22
IUPAC NameN-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)ccn2)o1)C1CCCCC1
InChIInChI=1S/C29H30N4O5/c1-30-29(36)26(19-7-3-2-4-8-19)33-28(35)24-12-11-23(38-24)21-15-18(13-14-31-21)17-32-27(34)25-16-20-9-5-6-10-22(20)37-25/h5-6,9-16,19,26H,2-4,7-8,17H2,1H3,(H,30,36)(H,32,34)(H,33,35)
InChIKeyXICKZUNKXAMXQC-UHFFFAOYSA-N
XLogP4.44
TPSA126.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
N-[[3-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyrimidine-4-carboxamide
CID 70227282
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 76807347
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
CID 58492138
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 76807224
4,5-dimethyl-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 58505322
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
CID 58505524
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carboxamide
CID 58505422
6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 58505398
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[2-(pyridin-4-ylmethyl)-1H-indol-6-yl]furan-2-carboxamide
CID 70667111

Frequently Asked Questions

What is the IUPAC name of N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide (CID 70224698) is N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2cc(CNC(=O)c3cc4ccccc4o3)ccn2)o1)C1CCCCC1.
What is the InChIKey of N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XICKZUNKXAMXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5/c1-30-29(36)26(19-7-3-2-4-8-19)33-28(35)24-12-11-23(38-24)21-15-18(13-14-31-21)17-32-27(34)25-16-20-9-5-6-10-22(20)37-25/h5-6,9-16,19,26H,2-4,7-8,17H2,1H3,(H,30,36)(H,32,34)(H,33,35).
What are the key properties of N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide?
N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70224698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).