N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

C26H29F3N4O2 — CID 138505468

IUPACN-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CC1(C)CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccncc3)o2)CC1
InChIInChI=1S/C26H29F3N4O2/c1-25(17-32(2)3)10-14-33(15-11-25)21-5-4-19(26(27,28)29)16-20(21)31-24(34)23-7-6-22(35-23)18-8-12-30-13-9-18/h4-9,12-13,16H,10-11,14-15,17H2,1-3H3,(H,31,34)
InChIKeyBWCPTUUHFXVLFF-UHFFFAOYSA-N
MW486.54 g/mol
LogP5.78
Rot. Bonds6

About N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide

N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (PubChem CID 138505468) has the molecular formula C26H29F3N4O2 and a molecular weight of 486.54 g/mol. Its IUPAC name is N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
PubChem CID138505468
Molecular FormulaC26H29F3N4O2
Molecular Weight486.54 g/mol
Exact Mass486.22
IUPAC NameN-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
SMILESCN(C)CC1(C)CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccncc3)o2)CC1
InChIInChI=1S/C26H29F3N4O2/c1-25(17-32(2)3)10-14-33(15-11-25)21-5-4-19(26(27,28)29)16-20(21)31-24(34)23-7-6-22(35-23)18-8-12-30-13-9-18/h4-9,12-13,16H,10-11,14-15,17H2,1-3H3,(H,31,34)
InChIKeyBWCPTUUHFXVLFF-UHFFFAOYSA-N
XLogP5.78
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.54
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129032608
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
N-[2-[ethyl(propyl)amino]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 142550208
N,4-dimethyl-1-[2-[[5-(oxan-4-yl)furan-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 138517917
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
N-[2-(2-methyl-1-oxo-2,8-diazaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)phenyl]-5-(oxan-4-yl)furan-2-carboxamide
CID 138517968
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
5-(3-chlorophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17115725
5-(2,3-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117717
5-[(2,5-dimethoxyphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 21045963
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 129032643

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide (CID 138505468) is N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is CN(C)CC1(C)CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccc(-c3ccncc3)o2)CC1.
What is the InChIKey of N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is BWCPTUUHFXVLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O2/c1-25(17-32(2)3)10-14-33(15-11-25)21-5-4-19(26(27,28)29)16-20(21)31-24(34)23-7-6-22(35-23)18-8-12-30-13-9-18/h4-9,12-13,16H,10-11,14-15,17H2,1-3H3,(H,31,34).
What are the key properties of N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide?
N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(dimethylamino)methyl]-4-methylpiperidin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 138505468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).