N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide

C20H18N4O2S — CID 171348387

IUPACN-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)NCc1ccccn1)CCC2)c1cccnc1
InChIInChI=1S/C20H18N4O2S/c25-18(13-5-4-9-21-11-13)24-20-17(15-7-3-8-16(15)27-20)19(26)23-12-14-6-1-2-10-22-14/h1-2,4-6,9-11H,3,7-8,12H2,(H,23,26)(H,24,25)
InChIKeyNXATTYNWEFXOBB-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.21
Rot. Bonds5

About N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide

N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 171348387) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide
PubChem CID171348387
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sc2c(c1C(=O)NCc1ccccn1)CCC2)c1cccnc1
InChIInChI=1S/C20H18N4O2S/c25-18(13-5-4-9-21-11-13)24-20-17(15-7-3-8-16(15)27-20)19(26)23-12-14-6-1-2-10-22-14/h1-2,4-6,9-11H,3,7-8,12H2,(H,23,26)(H,24,25)
InChIKeyNXATTYNWEFXOBB-UHFFFAOYSA-N
XLogP3.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide (CID 171348387) is N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide is O=C(Nc1sc2c(c1C(=O)NCc1ccccn1)CCC2)c1cccnc1.
What is the InChIKey of N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is NXATTYNWEFXOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18(13-5-4-9-21-11-13)24-20-17(15-7-3-8-16(15)27-20)19(26)23-12-14-6-1-2-10-22-14/h1-2,4-6,9-11H,3,7-8,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide?
N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 171348387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).