N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C22H21F3N4O2 — CID 129032638

IUPACN-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccoc2)CC1)c1ccccn1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)17-4-5-20(19(13-17)27-21(30)18-3-1-2-7-26-18)29-10-8-28(9-11-29)14-16-6-12-31-15-16/h1-7,12-13,15H,8-11,14H2,(H,27,30)
InChIKeyQKOGWRGKYRDKPX-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.27
Rot. Bonds5

About N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 129032638) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID129032638
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccoc2)CC1)c1ccccn1
InChIInChI=1S/C22H21F3N4O2/c23-22(24,25)17-4-5-20(19(13-17)27-21(30)18-3-1-2-7-26-18)29-10-8-28(9-11-29)14-16-6-12-31-15-16/h1-7,12-13,15H,8-11,14H2,(H,27,30)
InChIKeyQKOGWRGKYRDKPX-UHFFFAOYSA-N
XLogP4.27
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-furan-3-yl-methanone
CID 42606461
3-[[2-Oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425932
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129046497
N-methyl-3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425934
N-ethyl-3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425935
3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]-N-propylpyridine-2-carboxamide
CID 44425936
3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 44425939
3-[[2-oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 44425940
N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 44526848
(2R)-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-2-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 145980518

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 129032638) is N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccoc2)CC1)c1ccccn1.
What is the InChIKey of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is QKOGWRGKYRDKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c23-22(24,25)17-4-5-20(19(13-17)27-21(30)18-3-1-2-7-26-18)29-10-8-28(9-11-29)14-16-6-12-31-15-16/h1-7,12-13,15H,8-11,14H2,(H,27,30).
What are the key properties of N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 129032638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).