3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

C17H23N5O2S — CID 23400993

IUPAC3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(C(N)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H23N5O2S/c1-2-3-10-8-11(22-6-4-9(5-7-22)15(19)23)21-17-12(10)13(18)14(25-17)16(20)24/h8-9H,2-7,18H2,1H3,(H2,19,23)(H2,20,24)
InChIKeyMCCFRAKLOFHVJQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.63
Rot. Bonds5

About 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400993) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400993
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(C(N)=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C17H23N5O2S/c1-2-3-10-8-11(22-6-4-9(5-7-22)15(19)23)21-17-12(10)13(18)14(25-17)16(20)24/h8-9H,2-7,18H2,1H3,(H2,19,23)(H2,20,24)
InChIKeyMCCFRAKLOFHVJQ-UHFFFAOYSA-N
XLogP1.63
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2815319
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CID 3785801
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CID 4557525
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CID 10018040
CID 10018040
CID 10246246
CID 10246246
CID 11723489
CID 11723489
CID 23400922
CID 23400922

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400993) is 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(C(N)=O)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MCCFRAKLOFHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-2-3-10-8-11(22-6-4-9(5-7-22)15(19)23)21-17-12(10)13(18)14(25-17)16(20)24/h8-9H,2-7,18H2,1H3,(H2,19,23)(H2,20,24).
What are the key properties of 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).