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

C14H18N4OS — CID 69011601

IUPAC2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCc1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
InChIInChI=1S/C14H18N4OS/c1-8-5-10-12(20-8)11(13(15)19)7-17-14(10)18-9-3-2-4-16-6-9/h5,7,9,16H,2-4,6H2,1H3,(H2,15,19)(H,17,18)/t9-/m0/s1
InChIKeyJGEGBESWHBXEHZ-VIFPVBQESA-N
MW290.39 g/mol
LogP1.87
Rot. Bonds3

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

2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 69011601) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID69011601
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCc1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1
InChIInChI=1S/C14H18N4OS/c1-8-5-10-12(20-8)11(13(15)19)7-17-14(10)18-9-3-2-4-16-6-9/h5,7,9,16H,2-4,6H2,1H3,(H2,15,19)(H,17,18)/t9-/m0/s1
InChIKeyJGEGBESWHBXEHZ-VIFPVBQESA-N
XLogP1.87
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 69011601) is 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is Cc1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1.
What is the InChIKey of 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is JGEGBESWHBXEHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-5-10-12(20-8)11(13(15)19)7-17-14(10)18-9-3-2-4-16-6-9/h5,7,9,16H,2-4,6H2,1H3,(H2,15,19)(H,17,18)/t9-/m0/s1.
What are the key properties of 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 69011601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).