2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C19H21N5O2S — CID 52949739

IUPAC2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cn1
InChIInChI=1S/C19H21N5O2S/c1-26-16-5-4-11(8-22-16)15-7-13-17(27-15)14(18(20)25)10-23-19(13)24-12-3-2-6-21-9-12/h4-5,7-8,10,12,21H,2-3,6,9H2,1H3,(H2,20,25)(H,23,24)/t12-/m0/s1
InChIKeyOQLWIFUGUHGCFO-LBPRGKRZSA-N
MW383.48 g/mol
LogP2.63
Rot. Bonds5

About 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52949739) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52949739
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cn1
InChIInChI=1S/C19H21N5O2S/c1-26-16-5-4-11(8-22-16)15-7-13-17(27-15)14(18(20)25)10-23-19(13)24-12-3-2-6-21-9-12/h4-5,7-8,10,12,21H,2-3,6,9H2,1H3,(H2,20,25)(H,23,24)/t12-/m0/s1
InChIKeyOQLWIFUGUHGCFO-LBPRGKRZSA-N
XLogP2.63
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52949739) is 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is COc1ccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is OQLWIFUGUHGCFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-26-16-5-4-11(8-22-16)15-7-13-17(27-15)14(18(20)25)10-23-19(13)24-12-3-2-6-21-9-12/h4-5,7-8,10,12,21H,2-3,6,9H2,1H3,(H2,20,25)(H,23,24)/t12-/m0/s1.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52949739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).