4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H20N4OS — CID 44632634

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H20N4OS/c24-19(21-9-5-15-3-2-12-25-15)23-10-6-14(7-11-23)17-13-22-18-16(17)4-1-8-20-18/h1-4,6,8,12-13H,5,7,9-11H2,(H,20,22)(H,21,24)
InChIKeyBQYDGSNDLAZAEW-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.67
Rot. Bonds4

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 44632634) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID44632634
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C19H20N4OS/c24-19(21-9-5-15-3-2-12-25-15)23-10-6-14(7-11-23)17-13-22-18-16(17)4-1-8-20-18/h1-4,6,8,12-13H,5,7,9-11H2,(H,20,22)(H,21,24)
InChIKeyBQYDGSNDLAZAEW-UHFFFAOYSA-N
XLogP3.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 44632634) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(NCCc1cccs1)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is BQYDGSNDLAZAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-19(21-9-5-15-3-2-12-25-15)23-10-6-14(7-11-23)17-13-22-18-16(17)4-1-8-20-18/h1-4,6,8,12-13H,5,7,9-11H2,(H,20,22)(H,21,24).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2-thiophen-2-ylethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 44632634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).