N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

C27H28N6O2 — CID 57402919

IUPACN-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C27H28N6O2/c34-24(30-25(20-6-2-1-3-7-20)21-9-15-28-16-10-21)13-19-33-17-11-22(12-18-33)27-31-26(32-35-27)23-8-4-5-14-29-23/h1-10,14-16,22,25H,11-13,17-19H2,(H,30,34)
InChIKeyLJEOYPIQQKOZCH-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.00
Rot. Bonds8

About N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 57402919) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID57402919
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C27H28N6O2/c34-24(30-25(20-6-2-1-3-7-20)21-9-15-28-16-10-21)13-19-33-17-11-22(12-18-33)27-31-26(32-35-27)23-8-4-5-14-29-23/h1-10,14-16,22,25H,11-13,17-19H2,(H,30,34)
InChIKeyLJEOYPIQQKOZCH-UHFFFAOYSA-N
XLogP4.00
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 57402919) is N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is LJEOYPIQQKOZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c34-24(30-25(20-6-2-1-3-7-20)21-9-15-28-16-10-21)13-19-33-17-11-22(12-18-33)27-31-26(32-35-27)23-8-4-5-14-29-23/h1-10,14-16,22,25H,11-13,17-19H2,(H,30,34).
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 468.56 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57402919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).