N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide

C20H19N5O2S — CID 166311308

IUPACN-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(C(=O)c2ccc(-c3cccs3)cn2)CC1
InChIInChI=1S/C20H19N5O2S/c26-18(24-20-21-8-2-9-22-20)14-6-10-25(11-7-14)19(27)16-5-4-15(13-23-16)17-3-1-12-28-17/h1-5,8-9,12-14H,6-7,10-11H2,(H,21,22,24,26)
InChIKeyJEUNDKRURMEOIQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.09
Rot. Bonds4

About N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide

N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 166311308) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide
PubChem CID166311308
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(C(=O)c2ccc(-c3cccs3)cn2)CC1
InChIInChI=1S/C20H19N5O2S/c26-18(24-20-21-8-2-9-22-20)14-6-10-25(11-7-14)19(27)16-5-4-15(13-23-16)17-3-1-12-28-17/h1-5,8-9,12-14H,6-7,10-11H2,(H,21,22,24,26)
InChIKeyJEUNDKRURMEOIQ-UHFFFAOYSA-N
XLogP3.09
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide (CID 166311308) is N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ncccn1)C1CCN(C(=O)c2ccc(-c3cccs3)cn2)CC1.
What is the InChIKey of N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JEUNDKRURMEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-18(24-20-21-8-2-9-22-20)14-6-10-25(11-7-14)19(27)16-5-4-15(13-23-16)17-3-1-12-28-17/h1-5,8-9,12-14H,6-7,10-11H2,(H,21,22,24,26).
What are the key properties of N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide?
N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-1-(5-thiophen-2-ylpyridine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 166311308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).