N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide

C20H23N3O3S — CID 2854238

IUPACN-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2)c1cccnc1
InChIInChI=1S/C20H23N3O3S/c24-18(14-5-4-8-21-13-14)22-19-17(20(25)23-9-11-26-12-10-23)15-6-2-1-3-7-16(15)27-19/h4-5,8,13H,1-3,6-7,9-12H2,(H,22,24)
InChIKeyFQWCODRPNSJBNX-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.14
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide

N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 2854238) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide
PubChem CID2854238
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2)c1cccnc1
InChIInChI=1S/C20H23N3O3S/c24-18(14-5-4-8-21-13-14)22-19-17(20(25)23-9-11-26-12-10-23)15-6-2-1-3-7-16(15)27-19/h4-5,8,13H,1-3,6-7,9-12H2,(H,22,24)
InChIKeyFQWCODRPNSJBNX-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide (CID 2854238) is N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide is O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2)c1cccnc1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is FQWCODRPNSJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-18(14-5-4-8-21-13-14)22-19-17(20(25)23-9-11-26-12-10-23)15-6-2-1-3-7-16(15)27-19/h4-5,8,13H,1-3,6-7,9-12H2,(H,22,24).
What are the key properties of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide?
N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2854238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).