N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

C21H22N4O3S — CID 55809719

IUPACN-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3nc(-c4cccs4)oc3C)CC2)nc1
InChIInChI=1S/C21H22N4O3S/c1-13-5-6-17(22-12-13)23-19(26)15-7-9-25(10-8-15)21(27)18-14(2)28-20(24-18)16-4-3-11-29-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23,26)
InChIKeyJLBCNQDSACFCTQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.91
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 55809719) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID55809719
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3nc(-c4cccs4)oc3C)CC2)nc1
InChIInChI=1S/C21H22N4O3S/c1-13-5-6-17(22-12-13)23-19(26)15-7-9-25(10-8-15)21(27)18-14(2)28-20(24-18)16-4-3-11-29-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23,26)
InChIKeyJLBCNQDSACFCTQ-UHFFFAOYSA-N
XLogP3.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide (CID 55809719) is N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3nc(-c4cccs4)oc3C)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is JLBCNQDSACFCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13-5-6-17(22-12-13)23-19(26)15-7-9-25(10-8-15)21(27)18-14(2)28-20(24-18)16-4-3-11-29-16/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,23,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55809719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).