2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C20H19N3OS — CID 1441146

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H19N3OS/c24-20(22-13-17-6-3-11-25-17)18-7-2-10-21-19(18)23-16-9-8-14-4-1-5-15(14)12-16/h2-3,6-12H,1,4-5,13H2,(H,21,23)(H,22,24)
InChIKeyRAYRHYHWFPPXBW-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.31
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1441146) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1441146
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H19N3OS/c24-20(22-13-17-6-3-11-25-17)18-7-2-10-21-19(18)23-16-9-8-14-4-1-5-15(14)12-16/h2-3,6-12H,1,4-5,13H2,(H,21,23)(H,22,24)
InChIKeyRAYRHYHWFPPXBW-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 1441146) is 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is RAYRHYHWFPPXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(22-13-17-6-3-11-25-17)18-7-2-10-21-19(18)23-16-9-8-14-4-1-5-15(14)12-16/h2-3,6-12H,1,4-5,13H2,(H,21,23)(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1441146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).