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

C27H33FN4O3 — CID 25206378

IUPACN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)ccn1
InChIInChI=1S/C27H33FN4O3/c1-34-25-16-20(8-12-29-25)27(33)30-22-5-2-18(3-6-22)9-13-32-14-10-19(11-15-32)26-23-7-4-21(28)17-24(23)35-31-26/h4,7-8,12,16-19,22H,2-3,5-6,9-11,13-15H2,1H3,(H,30,33)
InChIKeyWNNTXSLBSCNVQL-UHFFFAOYSA-N
MW480.58 g/mol
LogP4.93
Rot. Bonds7

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

N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide (PubChem CID 25206378) has the molecular formula C27H33FN4O3 and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide
PubChem CID25206378
Molecular FormulaC27H33FN4O3
Molecular Weight480.58 g/mol
Exact Mass480.25
IUPAC NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)ccn1
InChIInChI=1S/C27H33FN4O3/c1-34-25-16-20(8-12-29-25)27(33)30-22-5-2-18(3-6-22)9-13-32-14-10-19(11-15-32)26-23-7-4-21(28)17-24(23)35-31-26/h4,7-8,12,16-19,22H,2-3,5-6,9-11,13-15H2,1H3,(H,30,33)
InChIKeyWNNTXSLBSCNVQL-UHFFFAOYSA-N
XLogP4.93
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide (CID 25206378) is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)ccn1.
What is the InChIKey of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is WNNTXSLBSCNVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O3/c1-34-25-16-20(8-12-29-25)27(33)30-22-5-2-18(3-6-22)9-13-32-14-10-19(11-15-32)26-23-7-4-21(28)17-24(23)35-31-26/h4,7-8,12,16-19,22H,2-3,5-6,9-11,13-15H2,1H3,(H,30,33).
What are the key properties of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide?
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 480.58 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 25206378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).