2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C20H22N4O2S — CID 52944876

IUPAC2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccccc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
InChIInChI=1S/C20H22N4O2S/c1-26-16-7-3-2-6-13(16)17-9-14-18(27-17)15(19(21)25)11-23-20(14)24-12-5-4-8-22-10-12/h2-3,6-7,9,11-12,22H,4-5,8,10H2,1H3,(H2,21,25)(H,23,24)/t12-/m0/s1
InChIKeyLDIYYAGYHGPEPK-LBPRGKRZSA-N
MW382.49 g/mol
LogP3.23
Rot. Bonds5

About 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52944876) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52944876
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccccc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
InChIInChI=1S/C20H22N4O2S/c1-26-16-7-3-2-6-13(16)17-9-14-18(27-17)15(19(21)25)11-23-20(14)24-12-5-4-8-22-10-12/h2-3,6-7,9,11-12,22H,4-5,8,10H2,1H3,(H2,21,25)(H,23,24)/t12-/m0/s1
InChIKeyLDIYYAGYHGPEPK-LBPRGKRZSA-N
XLogP3.23
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52944876) is 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is COc1ccccc1-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is LDIYYAGYHGPEPK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-16-7-3-2-6-13(16)17-9-14-18(27-17)15(19(21)25)11-23-20(14)24-12-5-4-8-22-10-12/h2-3,6-7,9,11-12,22H,4-5,8,10H2,1H3,(H2,21,25)(H,23,24)/t12-/m0/s1.
What are the key properties of 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52944876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).