N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide

C26H27ClN4O3S — CID 142869691

IUPACN-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide
SMILESCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CNCC(O)c3ccccn3)sc21
InChIInChI=1S/C26H27ClN4O3S/c1-2-11-31-16-21(25(34)30-13-17-6-8-18(27)9-7-17)24(33)20-12-19(35-26(20)31)14-28-15-23(32)22-5-3-4-10-29-22/h3-10,12,16,23,28,32H,2,11,13-15H2,1H3,(H,30,34)
InChIKeyYVUAMCSEWSZKRC-UHFFFAOYSA-N
MW511.05 g/mol
LogP4.27
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide (PubChem CID 142869691) has the molecular formula C26H27ClN4O3S and a molecular weight of 511.05 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide
PubChem CID142869691
Molecular FormulaC26H27ClN4O3S
Molecular Weight511.05 g/mol
Exact Mass510.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide
SMILESCCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CNCC(O)c3ccccn3)sc21
InChIInChI=1S/C26H27ClN4O3S/c1-2-11-31-16-21(25(34)30-13-17-6-8-18(27)9-7-17)24(33)20-12-19(35-26(20)31)14-28-15-23(32)22-5-3-4-10-29-22/h3-10,12,16,23,28,32H,2,11,13-15H2,1H3,(H,30,34)
InChIKeyYVUAMCSEWSZKRC-UHFFFAOYSA-N
XLogP4.27
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.05
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-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-chlorophenyl)methyl]-2-[[[(2R)-2-hydroxy-2-pyridin-2-ylethyl]amino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 142869701
2-[[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]methyl]-N-[(4-methylphenyl)methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide
CID 142972296
N-[(4-chlorophenyl)methyl]-2-[[(2R)-2-[(S)-hydroxy(phenyl)methyl]pyrrolidin-1-yl]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide
CID 20744384
N-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-2-[[[(2R)-2-hydroxy-2-pyridin-2-ylethyl]amino]methyl]-4-oxo-2,3-dihydrothieno[2,3-b]pyridine-5-carboxamide
CID 142869699
N-[(4-chlorophenyl)methyl]-7-(2,3-dihydroxypropyl)-2-[[[(3R)-3-(furan-2-yl)-3-hydroxypropyl]amino]methyl]-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 20847446
N-[(4-chlorophenyl)methyl]-7-ethyl-2-(4-hydroxybut-2-ynyl)-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 70106442
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-[[(3R)-3-hydroxy-3-phenylpropoxy]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 11283366
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-2-[[2-phenyl-2-(pyridin-2-ylmethylamino)ethoxy]methyl]thieno[2,3-b]pyridine-5-carboxamide
CID 11421771
N-[(4-chlorophenyl)methyl]-7-ethyl-4-oxo-2-prop-1-ynylthieno[2,3-b]pyridine-5-carboxamide
CID 57055908
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
N-[(4-chlorophenyl)methyl]-2-[[(2R)-2-hydroxy-3-(2-methylphenoxy)propoxy]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide
CID 11785823

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide (CID 142869691) is N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide is CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CNCC(O)c3ccccn3)sc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide?
The InChIKey is YVUAMCSEWSZKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3S/c1-2-11-31-16-21(25(34)30-13-17-6-8-18(27)9-7-17)24(33)20-12-19(35-26(20)31)14-28-15-23(32)22-5-3-4-10-29-22/h3-10,12,16,23,28,32H,2,11,13-15H2,1H3,(H,30,34).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide has a molecular weight of 511.05 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-pyridin-2-ylethyl)amino]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142869691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).