N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

C20H22F3N3O2 — CID 91599715

IUPACN-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(N(C(=O)c2cccnc2)C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-6-2-5-17(12-18)26(19(27)15-4-3-9-24-13-15)16-7-10-25(11-8-16)14-20(21,22)23/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
InChIKeyJOQAQFNBLQJSOJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.76
Rot. Bonds5

About N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 91599715) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID91599715
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cccc(N(C(=O)c2cccnc2)C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C20H22F3N3O2/c1-28-18-6-2-5-17(12-18)26(19(27)15-4-3-9-24-13-15)16-7-10-25(11-8-16)14-20(21,22)23/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
InChIKeyJOQAQFNBLQJSOJ-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 91599715) is N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is COc1cccc(N(C(=O)c2cccnc2)C2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JOQAQFNBLQJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-28-18-6-2-5-17(12-18)26(19(27)15-4-3-9-24-13-15)16-7-10-25(11-8-16)14-20(21,22)23/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91599715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).