N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

C27H28ClN3O4 — CID 10289061

IUPACN-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
SMILESCN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(CO)c1ccccc1
InChIInChI=1S/C27H28ClN3O4/c1-30(14-20(17-32)19-6-4-3-5-7-19)15-22-12-23-25(33)24(16-31(2)27(23)35-22)26(34)29-13-18-8-10-21(28)11-9-18/h3-12,16,20,32H,13-15,17H2,1-2H3,(H,29,34)
InChIKeyFVSAFVNZHIEWTA-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.92
Rot. Bonds9

About N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide (PubChem CID 10289061) has the molecular formula C27H28ClN3O4 and a molecular weight of 493.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
PubChem CID10289061
Molecular FormulaC27H28ClN3O4
Molecular Weight493.99 g/mol
Exact Mass493.18
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
SMILESCN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(CO)c1ccccc1
InChIInChI=1S/C27H28ClN3O4/c1-30(14-20(17-32)19-6-4-3-5-7-19)15-22-12-23-25(33)24(16-31(2)27(23)35-22)26(34)29-13-18-8-10-21(28)11-9-18/h3-12,16,20,32H,13-15,17H2,1-2H3,(H,29,34)
InChIKeyFVSAFVNZHIEWTA-UHFFFAOYSA-N
XLogP3.92
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 10152306
N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(2,4,6-trifluorophenyl)ethyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 22498724
2-[3-[[5-[(4-chlorophenyl)methylcarbamoyl]-7-methyl-4-oxofuro[2,3-b]pyridin-2-yl]methyl-methylamino]-2-hydroxypropyl]sulfanylpyridine-3-carboxylic acid
CID 10239904
N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-3-(7H-purin-6-ylsulfanyl)propyl]-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 10196635
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
CID 22498719
N-[(4-chlorophenyl)methyl]-2-[[[2-(furan-3-yl)-2-hydroxyethyl]-methylamino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 11283149
N-[(4-chlorophenyl)methyl]-2-[[(3R)-3-hydroxy-3-phenylpropoxy]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 11283366
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-3-phenylpropyl)-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574398
2-[[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-methylamino]methyl]-N-[(4-chlorophenyl)methyl]-7-(2-methoxyethyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 15959364
N-[(4-chlorophenyl)methyl]-2-[[2-hydroxypropyl(methyl)amino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 22574422
N-[(4-chlorophenyl)methyl]-2-iodo-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 10095695
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyrimidin-2-ylethyl)-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
CID 10239304

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide (CID 10289061) is N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide is CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(CO)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
The InChIKey is FVSAFVNZHIEWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4/c1-30(14-20(17-32)19-6-4-3-5-7-19)15-22-12-23-25(33)24(16-31(2)27(23)35-22)26(34)29-13-18-8-10-21(28)11-9-18/h3-12,16,20,32H,13-15,17H2,1-2H3,(H,29,34).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[(3-hydroxy-2-phenylpropyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 10289061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).