N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

C23H24N4O3S — CID 3216678

IUPACN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C23H24N4O3S/c28-21(13-20-8-4-12-31-20)27(18-6-2-10-25-15-18)22(17-5-1-9-24-14-17)23(29)26-16-19-7-3-11-30-19/h1-2,4-6,8-10,12,14-15,19,22H,3,7,11,13,16H2,(H,26,29)
InChIKeyAZDIDEVIEGEAEJ-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.15
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3216678) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3216678
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESO=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1
InChIInChI=1S/C23H24N4O3S/c28-21(13-20-8-4-12-31-20)27(18-6-2-10-25-15-18)22(17-5-1-9-24-14-17)23(29)26-16-19-7-3-11-30-19/h1-2,4-6,8-10,12,14-15,19,22H,3,7,11,13,16H2,(H,26,29)
InChIKeyAZDIDEVIEGEAEJ-UHFFFAOYSA-N
XLogP3.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3216678) is N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is O=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is AZDIDEVIEGEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-21(13-20-8-4-12-31-20)27(18-6-2-10-25-15-18)22(17-5-1-9-24-14-17)23(29)26-16-19-7-3-11-30-19/h1-2,4-6,8-10,12,14-15,19,22H,3,7,11,13,16H2,(H,26,29).
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 436.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3216678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).