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

C27H27FN6O2 — CID 57399385

IUPACN-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C27H27FN6O2/c28-22-6-4-19(5-7-22)25(20-8-14-29-15-9-20)31-24(35)12-18-34-16-10-21(11-17-34)27-32-26(33-36-27)23-3-1-2-13-30-23/h1-9,13-15,21,25H,10-12,16-18H2,(H,31,35)
InChIKeyNNKMOTYRUOEJOI-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.14
Rot. Bonds8

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

N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 57399385) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID57399385
Molecular FormulaC27H27FN6O2
Molecular Weight486.55 g/mol
Exact Mass486.22
IUPAC NameN-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(c2nc(-c3ccccn3)no2)CC1)NC(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C27H27FN6O2/c28-22-6-4-19(5-7-22)25(20-8-14-29-15-9-20)31-24(35)12-18-34-16-10-21(11-17-34)27-32-26(33-36-27)23-3-1-2-13-30-23/h1-9,13-15,21,25H,10-12,16-18H2,(H,31,35)
InChIKeyNNKMOTYRUOEJOI-UHFFFAOYSA-N
XLogP4.14
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 57399385) is N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-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(c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is NNKMOTYRUOEJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6O2/c28-22-6-4-19(5-7-22)25(20-8-14-29-15-9-20)31-24(35)12-18-34-16-10-21(11-17-34)27-32-26(33-36-27)23-3-1-2-13-30-23/h1-9,13-15,21,25H,10-12,16-18H2,(H,31,35).
What are the key properties of N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 486.55 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-3-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 57399385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).