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

C20H21N5O2S — CID 50925625

IUPAC2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/t13-/m0/s1
InChIKeyBVDWZUJVQLRUTH-ZDUSSCGKSA-N
MW395.49 g/mol
LogP2.33
Rot. Bonds5

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

2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 50925625) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID50925625
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1
InChIInChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/t13-/m0/s1
InChIKeyBVDWZUJVQLRUTH-ZDUSSCGKSA-N
XLogP2.33
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 50925625) is 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cc1.
What is the InChIKey of 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is BVDWZUJVQLRUTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N5O2S/c21-18(26)12-5-3-11(4-6-12)16-8-14-17(28-16)15(19(22)27)10-24-20(14)25-13-2-1-7-23-9-13/h3-6,8,10,13,23H,1-2,7,9H2,(H2,21,26)(H2,22,27)(H,24,25)/t13-/m0/s1.
What are the key properties of 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 50925625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).