N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide

C25H25F3N4O3 — CID 44526848

IUPACN-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccco3)CC2)cn1
InChIInChI=1S/C25H25F3N4O3/c1-16-4-5-18(15-29-16)23(33)30-14-17-8-10-32(11-9-17)21-7-6-19(25(26,27)28)13-20(21)31-24(34)22-3-2-12-35-22/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,30,33)(H,31,34)
InChIKeyYQASRQZYNXBAMM-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.90
Rot. Bonds6

About N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide

N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 44526848) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID44526848
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC NameN-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccco3)CC2)cn1
InChIInChI=1S/C25H25F3N4O3/c1-16-4-5-18(15-29-16)23(33)30-14-17-8-10-32(11-9-17)21-7-6-19(25(26,27)28)13-20(21)31-24(34)22-3-2-12-35-22/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,30,33)(H,31,34)
InChIKeyYQASRQZYNXBAMM-UHFFFAOYSA-N
XLogP4.90
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide (CID 44526848) is N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccco3)CC2)cn1.
What is the InChIKey of N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is YQASRQZYNXBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-16-4-5-18(15-29-16)23(33)30-14-17-8-10-32(11-9-17)21-7-6-19(25(26,27)28)13-20(21)31-24(34)22-3-2-12-35-22/h2-7,12-13,15,17H,8-11,14H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide?
N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(furan-2-carbonylamino)-4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 44526848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).