1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H22ClF3N4O — CID 55408767

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C21H22ClF3N4O/c22-18-11-15(21(23,24)25)12-27-19(18)28-9-6-14(7-10-28)20(30)29(17-4-5-17)13-16-3-1-2-8-26-16/h1-3,8,11-12,14,17H,4-7,9-10,13H2
InChIKeyFSSBJBMCKKCDTQ-UHFFFAOYSA-N
MW438.88 g/mol
LogP4.56
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55408767) has the molecular formula C21H22ClF3N4O and a molecular weight of 438.88 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55408767
Molecular FormulaC21H22ClF3N4O
Molecular Weight438.88 g/mol
Exact Mass438.14
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C21H22ClF3N4O/c22-18-11-15(21(23,24)25)12-27-19(18)28-9-6-14(7-10-28)20(30)29(17-4-5-17)13-16-3-1-2-8-26-16/h1-3,8,11-12,14,17H,4-7,9-10,13H2
InChIKeyFSSBJBMCKKCDTQ-UHFFFAOYSA-N
XLogP4.56
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 55408767) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(Cc1ccccn1)C1CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FSSBJBMCKKCDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N4O/c22-18-11-15(21(23,24)25)12-27-19(18)28-9-6-14(7-10-28)20(30)29(17-4-5-17)13-16-3-1-2-8-26-16/h1-3,8,11-12,14,17H,4-7,9-10,13H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 438.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55408767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).