4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

C21H24N4O2S — CID 69010662

IUPAC4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCN[C@@H]2CCO)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C21H24N4O2S/c22-20(27)15-12-24-21(25-17-7-4-9-23-16(17)8-10-26)14-11-18(28-19(14)15)13-5-2-1-3-6-13/h1-3,5-6,11-12,16-17,23,26H,4,7-10H2,(H2,22,27)(H,24,25)/t16-,17+/m1/s1
InChIKeyWDHIFVVCVCTFQQ-SJORKVTESA-N
MW396.52 g/mol
LogP2.98
Rot. Bonds6

About 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide

4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 69010662) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID69010662
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCN[C@@H]2CCO)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C21H24N4O2S/c22-20(27)15-12-24-21(25-17-7-4-9-23-16(17)8-10-26)14-11-18(28-19(14)15)13-5-2-1-3-6-13/h1-3,5-6,11-12,16-17,23,26H,4,7-10H2,(H2,22,27)(H,24,25)/t16-,17+/m1/s1
InChIKeyWDHIFVVCVCTFQQ-SJORKVTESA-N
XLogP2.98
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide (CID 69010662) is 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCN[C@@H]2CCO)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is WDHIFVVCVCTFQQ-SJORKVTESA-N. The full InChI is InChI=1S/C21H24N4O2S/c22-20(27)15-12-24-21(25-17-7-4-9-23-16(17)8-10-26)14-11-18(28-19(14)15)13-5-2-1-3-6-13/h1-3,5-6,11-12,16-17,23,26H,4,7-10H2,(H2,22,27)(H,24,25)/t16-,17+/m1/s1.
What are the key properties of 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 69010662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).