N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide

C20H21ClN4O3 — CID 167081487

IUPACN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NC2CCN(c3nc4cc(Cl)ccc4o3)CC2)ccn1
InChIInChI=1S/C20H21ClN4O3/c1-2-27-18-11-13(5-8-22-18)19(26)23-15-6-9-25(10-7-15)20-24-16-12-14(21)3-4-17(16)28-20/h3-5,8,11-12,15H,2,6-7,9-10H2,1H3,(H,23,26)
InChIKeyAFRAIIYGBIPCEE-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide (PubChem CID 167081487) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
PubChem CID167081487
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NC2CCN(c3nc4cc(Cl)ccc4o3)CC2)ccn1
InChIInChI=1S/C20H21ClN4O3/c1-2-27-18-11-13(5-8-22-18)19(26)23-15-6-9-25(10-7-15)20-24-16-12-14(21)3-4-17(16)28-20/h3-5,8,11-12,15H,2,6-7,9-10H2,1H3,(H,23,26)
InChIKeyAFRAIIYGBIPCEE-UHFFFAOYSA-N
XLogP3.67
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 167081505
ethyl 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46735169
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 166603296
2-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432232
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 167081478
N-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-methylsulfonylbenzamide
CID 163367708
5-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 163367580
4-N-[4-(5-chloro-1,3-benzoxazol-2-yl)cyclohexyl]pyridine-2,4-dicarboxamide
CID 167088262
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 154883057

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide?
The IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide (CID 167081487) is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide?
The canonical SMILES for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide is CCOc1cc(C(=O)NC2CCN(c3nc4cc(Cl)ccc4o3)CC2)ccn1.
What is the InChIKey of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide?
The InChIKey is AFRAIIYGBIPCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-2-27-18-11-13(5-8-22-18)19(26)23-15-6-9-25(10-7-15)20-24-16-12-14(21)3-4-17(16)28-20/h3-5,8,11-12,15H,2,6-7,9-10H2,1H3,(H,23,26).
What are the key properties of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide?
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-2-ethoxypyridine-4-carboxamide is sourced from PubChem (CID 167081487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).