6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

C19H21F3N4O2 — CID 118736800

IUPAC6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cc(-c2ccc(C(=O)NC3CCN(CC(F)(F)F)CC3)cn2)ccn1
InChIInChI=1S/C19H21F3N4O2/c1-28-17-10-13(4-7-23-17)16-3-2-14(11-24-16)18(27)25-15-5-8-26(9-6-15)12-19(20,21)22/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,25,27)
InChIKeyPBMSYXBNEZHNKL-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.91
Rot. Bonds5

About 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 118736800) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID118736800
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCOc1cc(-c2ccc(C(=O)NC3CCN(CC(F)(F)F)CC3)cn2)ccn1
InChIInChI=1S/C19H21F3N4O2/c1-28-17-10-13(4-7-23-17)16-3-2-14(11-24-16)18(27)25-15-5-8-26(9-6-15)12-19(20,21)22/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,25,27)
InChIKeyPBMSYXBNEZHNKL-UHFFFAOYSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolopyridine, 29
CID 16720207
6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
6-Fluoro-n-((r)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide
CID 44511934
6-cyano-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 44512090
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
CID 68187495
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]cyclohexyl]-pyridine-3-carboxamide
CID 89463724
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
7-fluoro-3-[4-[4-(6-methoxypyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118507411
7-[[4-[6-(difluoromethoxy)-3-pyridinyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 168284895
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 118736800) is 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is COc1cc(-c2ccc(C(=O)NC3CCN(CC(F)(F)F)CC3)cn2)ccn1.
What is the InChIKey of 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is PBMSYXBNEZHNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-28-17-10-13(4-7-23-17)16-3-2-14(11-24-16)18(27)25-15-5-8-26(9-6-15)12-19(20,21)22/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3,(H,25,27).
What are the key properties of 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4-pyridinyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118736800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).