(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C18H24F4N4O2 — CID 126721415

IUPAC(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(N2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H24F4N4O2/c1-28-17-11(10-24-16(27)14-3-2-6-23-14)9-13(19)15(25-17)26-7-4-12(5-8-26)18(20,21)22/h9,12,14,23H,2-8,10H2,1H3,(H,24,27)/t14-/m0/s1
InChIKeyJOTWRLVUQHSDHO-AWEZNQCLSA-N
MW404.41 g/mol
LogP2.38
Rot. Bonds5

About (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 126721415) has the molecular formula C18H24F4N4O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID126721415
Molecular FormulaC18H24F4N4O2
Molecular Weight404.41 g/mol
Exact Mass404.18
IUPAC Name(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nc(N2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C18H24F4N4O2/c1-28-17-11(10-24-16(27)14-3-2-6-23-14)9-13(19)15(25-17)26-7-4-12(5-8-26)18(20,21)22/h9,12,14,23H,2-8,10H2,1H3,(H,24,27)/t14-/m0/s1
InChIKeyJOTWRLVUQHSDHO-AWEZNQCLSA-N
XLogP2.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-fluoro-6-(3,3,4,4,5,5-hexafluoropiperidin-1-yl)-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721471
(2S)-N-[[6-(3,3-difluoropiperidin-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721946
(2S)-N-[[5-fluoro-2-methoxy-6-(3,3,4,4-tetrafluorobutan-2-yloxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721972
(2S)-N-[[6-(2,3-dihydroindol-1-yl)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721487
N-[[6-(cyclobutylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721520
N-[[6-(cyclohexylamino)-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 126721524
(2S)-N-[[5-fluoro-2-methoxy-6-(oxan-4-yl)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126721985
(2S)-N-[[6-[(4,4-difluorocyclohexyl)-methylamino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721939
(2S)-N-[[6-[(4,4-difluorocyclohexyl)amino]-5-fluoro-2-methoxy-3-pyridinyl]methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 126721781
(2S,4R)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)cyclohexyl]oxy-3-pyridinyl]methyl]-4-methylpyrrolidine-2-carboxamide
CID 126721727
(2S)-N-[[6-(4,4-difluorocyclohexyl)oxy-5-fluoro-2-methoxy-3-pyridinyl]methyl]azetidine-2-carboxamide
CID 126721536
N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 168752889

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 126721415) is (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is COc1nc(N2CCC(C(F)(F)F)CC2)c(F)cc1CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is JOTWRLVUQHSDHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24F4N4O2/c1-28-17-11(10-24-16(27)14-3-2-6-23-14)9-13(19)15(25-17)26-7-4-12(5-8-26)18(20,21)22/h9,12,14,23H,2-8,10H2,1H3,(H,24,27)/t14-/m0/s1.
What are the key properties of (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-fluoro-2-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126721415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).