1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide

C21H24N6O3S — CID 55969957

IUPAC1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cn2)C1
InChIInChI=1S/C21H24N6O3S/c22-20(29)14-4-2-10-27(13-14)17-9-8-15(12-23-17)24-18(28)6-1-7-19-25-21(26-30-19)16-5-3-11-31-16/h3,5,8-9,11-12,14H,1-2,4,6-7,10,13H2,(H2,22,29)(H,24,28)
InChIKeySZHFUOKFDJHIOA-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.86
Rot. Bonds8

About 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55969957) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55969957
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cn2)C1
InChIInChI=1S/C21H24N6O3S/c22-20(29)14-4-2-10-27(13-14)17-9-8-15(12-23-17)24-18(28)6-1-7-19-25-21(26-30-19)16-5-3-11-31-16/h3,5,8-9,11-12,14H,1-2,4,6-7,10,13H2,(H2,22,29)(H,24,28)
InChIKeySZHFUOKFDJHIOA-UHFFFAOYSA-N
XLogP2.86
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[5-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701099
N-(4-piperidin-1-ylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39995844
N-(2-piperidin-1-yl-3-pyridinyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55978291
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55687080
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
(3S)-N-phenyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 38936169
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
N-cyclohexyl-N-methyl-4-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 55919488
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide (CID 55969957) is 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)CCCc3nc(-c4cccs4)no3)cn2)C1.
What is the InChIKey of 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is SZHFUOKFDJHIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c22-20(29)14-4-2-10-27(13-14)17-9-8-15(12-23-17)24-18(28)6-1-7-19-25-21(26-30-19)16-5-3-11-31-16/h3,5,8-9,11-12,14H,1-2,4,6-7,10,13H2,(H2,22,29)(H,24,28).
What are the key properties of 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55969957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).