3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C19H18N4O2S — CID 124999763

IUPAC3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H18N4O2S/c20-17(24)16-15(13-6-3-9-22-18(13)26-16)12-5-4-10-23(11-12)19(25)14-7-1-2-8-21-14/h1-3,6-9,12H,4-5,10-11H2,(H2,20,24)/t12-/m1/s1
InChIKeyRQZASKWFSNJFLF-GFCCVEGCSA-N
MW366.45 g/mol
LogP2.81
Rot. Bonds3

About 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 124999763) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID124999763
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H18N4O2S/c20-17(24)16-15(13-6-3-9-22-18(13)26-16)12-5-4-10-23(11-12)19(25)14-7-1-2-8-21-14/h1-3,6-9,12H,4-5,10-11H2,(H2,20,24)/t12-/m1/s1
InChIKeyRQZASKWFSNJFLF-GFCCVEGCSA-N
XLogP2.81
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylsulfonylpiperidin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 132777127
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110109938
3-[1-[2-(benzotriazol-1-yl)acetyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110130503
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125027316
3-[4-(aminomethyl)cyclohexyl]thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 71298584
(3-aminothieno[2,3-b]pyridin-2-yl)-(3-anilinopiperidin-1-yl)methanone
CID 155953760
3-[6-[1-(pyridine-2-carbonyl)piperidin-3-yl]-3-pyridinyl]benzamide
CID 110263833
cyclopentyl-[(3S)-3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 124971996
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
pyridin-2-yl-[(3R)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845120
3-(1-benzoylpyrrolidin-3-yl)-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248233

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 124999763) is 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2ncccc2c1[C@@H]1CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RQZASKWFSNJFLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N4O2S/c20-17(24)16-15(13-6-3-9-22-18(13)26-16)12-5-4-10-23(11-12)19(25)14-7-1-2-8-21-14/h1-3,6-9,12H,4-5,10-11H2,(H2,20,24)/t12-/m1/s1.
What are the key properties of 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(pyridine-2-carbonyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 124999763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).