N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide

C20H20ClN5O4 — CID 55924672

IUPACN-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C20H20ClN5O4/c21-14-3-4-16(22-12-14)23-20(28)13-7-9-26(10-8-13)18(27)6-5-17-24-19(25-30-17)15-2-1-11-29-15/h1-4,11-13H,5-10H2,(H,22,23,28)
InChIKeyYRYRIGJQEDNQDT-UHFFFAOYSA-N
MW429.86 g/mol
LogP3.19
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide (PubChem CID 55924672) has the molecular formula C20H20ClN5O4 and a molecular weight of 429.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
PubChem CID55924672
Molecular FormulaC20H20ClN5O4
Molecular Weight429.86 g/mol
Exact Mass429.12
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C20H20ClN5O4/c21-14-3-4-16(22-12-14)23-20(28)13-7-9-26(10-8-13)18(27)6-5-17-24-19(25-30-17)15-2-1-11-29-15/h1-4,11-13H,5-10H2,(H,22,23,28)
InChIKeyYRYRIGJQEDNQDT-UHFFFAOYSA-N
XLogP3.19
TPSA114.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 36747424
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 119645557
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120815986
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 136579804
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 32535444

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide (CID 55924672) is N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCc2nc(-c3ccco3)no2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide?
The InChIKey is YRYRIGJQEDNQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O4/c21-14-3-4-16(22-12-14)23-20(28)13-7-9-26(10-8-13)18(27)6-5-17-24-19(25-30-17)15-2-1-11-29-15/h1-4,11-13H,5-10H2,(H,22,23,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide has a molecular weight of 429.86 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55924672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).