N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide

C20H21FN4O2 — CID 18467275

IUPACN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccnc1
InChIInChI=1S/C20H21FN4O2/c21-16-3-4-17-18(12-16)27-24-19(17)14-5-9-25(10-6-14)11-8-23-20(26)15-2-1-7-22-13-15/h1-4,7,12-14H,5-6,8-11H2,(H,23,26)
InChIKeyRYOCSLBFKGHMRW-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.97
Rot. Bonds5

About N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide

N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 18467275) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID18467275
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccnc1
InChIInChI=1S/C20H21FN4O2/c21-16-3-4-17-18(12-16)27-24-19(17)14-5-9-25(10-6-14)11-8-23-20(26)15-2-1-7-22-13-15/h1-4,7,12-14H,5-6,8-11H2,(H,23,26)
InChIKeyRYOCSLBFKGHMRW-UHFFFAOYSA-N
XLogP2.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide (CID 18467275) is N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide is O=C(NCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cccnc1.
What is the InChIKey of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is RYOCSLBFKGHMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-16-3-4-17-18(12-16)27-24-19(17)14-5-9-25(10-6-14)11-8-23-20(26)15-2-1-7-22-13-15/h1-4,7,12-14H,5-6,8-11H2,(H,23,26).
What are the key properties of N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide?
N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 18467275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).