N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C19H20ClF3N4O3 — CID 42938329

IUPACN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C19H20ClF3N4O3/c20-14-9-13(19(21,22)23)10-26-16(14)24-5-6-25-17(28)12-3-1-7-27(11-12)18(29)15-4-2-8-30-15/h2,4,8-10,12H,1,3,5-7,11H2,(H,24,26)(H,25,28)
InChIKeyUMBCPJGPGMIUOC-UHFFFAOYSA-N
MW444.84 g/mol
LogP3.43
Rot. Bonds6

About N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42938329) has the molecular formula C19H20ClF3N4O3 and a molecular weight of 444.84 g/mol. Its IUPAC name is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID42938329
Molecular FormulaC19H20ClF3N4O3
Molecular Weight444.84 g/mol
Exact Mass444.12
IUPAC NameN-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C19H20ClF3N4O3/c20-14-9-13(19(21,22)23)10-26-16(14)24-5-6-25-17(28)12-3-1-7-27(11-12)18(29)15-4-2-8-30-15/h2,4,8-10,12H,1,3,5-7,11H2,(H,24,26)(H,25,28)
InChIKeyUMBCPJGPGMIUOC-UHFFFAOYSA-N
XLogP3.43
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 30377719
(3S)-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 32643192
N-[(2S)-1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 32642442
(3R)-1-(furan-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 32618175
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 46592275
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46515850
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 42938329) is N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is UMBCPJGPGMIUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O3/c20-14-9-13(19(21,22)23)10-26-16(14)24-5-6-25-17(28)12-3-1-7-27(11-12)18(29)15-4-2-8-30-15/h2,4,8-10,12H,1,3,5-7,11H2,(H,24,26)(H,25,28).
What are the key properties of N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 444.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42938329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).