N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C19H20F3N3O — CID 23149642

IUPACN-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1
InChIInChI=1S/C19H20F3N3O/c1-13-4-2-3-11-25(13)17-6-5-15(19(20,21)22)12-16(17)24-18(26)14-7-9-23-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,24,26)
InChIKeyHSYNTSZGZCIBDA-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.73
Rot. Bonds3

About N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 23149642) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID23149642
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1
InChIInChI=1S/C19H20F3N3O/c1-13-4-2-3-11-25(13)17-6-5-15(19(20,21)22)12-16(17)24-18(26)14-7-9-23-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,24,26)
InChIKeyHSYNTSZGZCIBDA-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
N-[2-sulfanyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 162551404
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
4-[(2S)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid;4-[(2R)-2-methylpiperidin-1-yl]-3-(trifluoromethyl)benzoic acid
CID 87122189
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
2-methyl-1-methylsulfonyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 46483332
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 23149642) is N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CC1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is HSYNTSZGZCIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-13-4-2-3-11-25(13)17-6-5-15(19(20,21)22)12-16(17)24-18(26)14-7-9-23-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 23149642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).