N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide

C21H22F3N3O3 — CID 91914104

IUPACN,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C21H22F3N3O3/c1-26(2)19(28)15-5-8-18(25-13-15)30-17-9-11-27(12-10-17)20(29)14-3-6-16(7-4-14)21(22,23)24/h3-8,13,17H,9-12H2,1-2H3
InChIKeyWUPQYDPADUQDTL-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.49
Rot. Bonds4

About N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide

N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 91914104) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID91914104
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C21H22F3N3O3/c1-26(2)19(28)15-5-8-18(25-13-15)30-17-9-11-27(12-10-17)20(29)14-3-6-16(7-4-14)21(22,23)24/h3-8,13,17H,9-12H2,1-2H3
InChIKeyWUPQYDPADUQDTL-UHFFFAOYSA-N
XLogP3.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide (CID 91914104) is N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide is CN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is WUPQYDPADUQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-26(2)19(28)15-5-8-18(25-13-15)30-17-9-11-27(12-10-17)20(29)14-3-6-16(7-4-14)21(22,23)24/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide?
N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91914104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).