6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide

C25H25ClN4O3S — CID 22240412

IUPAC6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCCC1NC(=O)c1cc2ccc(Cl)nc2s1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H25ClN4O3S/c26-21-12-9-16-14-20(34-25(16)29-21)24(33)28-19-5-3-4-18(19)27-23(32)15-7-10-17(11-8-15)30-13-2-1-6-22(30)31/h7-12,14,18-19H,1-6,13H2,(H,27,32)(H,28,33)
InChIKeyARQMSZRJRCWDAG-UHFFFAOYSA-N
MW497.02 g/mol
LogP4.55
Rot. Bonds5

About 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide

6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 22240412) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID22240412
Molecular FormulaC25H25ClN4O3S
Molecular Weight497.02 g/mol
Exact Mass496.13
IUPAC Name6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCCC1NC(=O)c1cc2ccc(Cl)nc2s1)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H25ClN4O3S/c26-21-12-9-16-14-20(34-25(16)29-21)24(33)28-19-5-3-4-18(19)27-23(32)15-7-10-17(11-8-15)30-13-2-1-6-22(30)31/h7-12,14,18-19H,1-6,13H2,(H,27,32)(H,28,33)
InChIKeyARQMSZRJRCWDAG-UHFFFAOYSA-N
XLogP4.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.02
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

6-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methylsulfonyl]thieno[2,3-b]pyridine-2-carboxamide
CID 87698063
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
CID 90891307
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
N-(2-carbamoylcyclopentyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18453013
(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 69439131
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 11488766
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
5-chloro-N-[4-(hydroxymethyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 18453042
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-1-propan-2-ylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 69437051
5-chloro-N-[(3R,4S)-1-methylsulfonyl-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 69216244
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439081
N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide (CID 22240412) is 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide is O=C(NC1CCCC1NC(=O)c1cc2ccc(Cl)nc2s1)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ARQMSZRJRCWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c26-21-12-9-16-14-20(34-25(16)29-21)24(33)28-19-5-3-4-18(19)27-23(32)15-7-10-17(11-8-15)30-13-2-1-6-22(30)31/h7-12,14,18-19H,1-6,13H2,(H,27,32)(H,28,33).
What are the key properties of 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide?
6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 497.02 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 22240412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).