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

C18H19N5OS — CID 52948520

IUPAC4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccnc3)sc12
InChIInChI=1S/C18H19N5OS/c19-17(24)14-10-22-18(23-12-4-2-6-21-9-12)13-7-15(25-16(13)14)11-3-1-5-20-8-11/h1,3,5,7-8,10,12,21H,2,4,6,9H2,(H2,19,24)(H,22,23)/t12-/m0/s1
InChIKeyJMOTYSUHSWRMJS-LBPRGKRZSA-N
MW353.45 g/mol
LogP2.62
Rot. Bonds4

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

4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52948520) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide
PubChem CID52948520
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccnc3)sc12
InChIInChI=1S/C18H19N5OS/c19-17(24)14-10-22-18(23-12-4-2-6-21-9-12)13-7-15(25-16(13)14)11-3-1-5-20-8-11/h1,3,5,7-8,10,12,21H,2,4,6,9H2,(H2,19,24)(H,22,23)/t12-/m0/s1
InChIKeyJMOTYSUHSWRMJS-LBPRGKRZSA-N
XLogP2.62
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide (CID 52948520) is 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccnc3)sc12.
What is the InChIKey of 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is JMOTYSUHSWRMJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5OS/c19-17(24)14-10-22-18(23-12-4-2-6-21-9-12)13-7-15(25-16(13)14)11-3-1-5-20-8-11/h1,3,5,7-8,10,12,21H,2,4,6,9H2,(H2,19,24)(H,22,23)/t12-/m0/s1.
What are the key properties of 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide?
4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-piperidin-3-yl]amino]-2-pyridin-3-ylthieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52948520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).