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

C20H19N5OS — CID 52942510

IUPAC2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESN#Cc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C20H19N5OS/c21-9-12-3-1-4-13(7-12)17-8-15-18(27-17)16(19(22)26)11-24-20(15)25-14-5-2-6-23-10-14/h1,3-4,7-8,11,14,23H,2,5-6,10H2,(H2,22,26)(H,24,25)/t14-/m0/s1
InChIKeyGGDINBVCDGNASK-AWEZNQCLSA-N
MW377.47 g/mol
LogP3.10
Rot. Bonds4

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

2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52942510) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52942510
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESN#Cc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C20H19N5OS/c21-9-12-3-1-4-13(7-12)17-8-15-18(27-17)16(19(22)26)11-24-20(15)25-14-5-2-6-23-10-14/h1,3-4,7-8,11,14,23H,2,5-6,10H2,(H2,22,26)(H,24,25)/t14-/m0/s1
InChIKeyGGDINBVCDGNASK-AWEZNQCLSA-N
XLogP3.10
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52942510) is 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is N#Cc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is GGDINBVCDGNASK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N5OS/c21-9-12-3-1-4-13(7-12)17-8-15-18(27-17)16(19(22)26)11-24-20(15)25-14-5-2-6-23-10-14/h1,3-4,7-8,11,14,23H,2,5-6,10H2,(H2,22,26)(H,24,25)/t14-/m0/s1.
What are the key properties of 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52942510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).