N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H20F3N3O2 — CID 46563842

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O2/c1-13-10-15(25-8-2-3-9-25)5-6-16(13)24-18(26)14-4-7-17(23-11-14)27-12-19(20,21)22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,24,26)
InChIKeyZVJSMCOKTVLDDP-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.18
Rot. Bonds5

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 46563842) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID46563842
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O2/c1-13-10-15(25-8-2-3-9-25)5-6-16(13)24-18(26)14-4-7-17(23-11-14)27-12-19(20,21)22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,24,26)
InChIKeyZVJSMCOKTVLDDP-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 42040009
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51111953
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52525487
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56556000
N-(2-ethoxy-4-fluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87006231
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55807567

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 46563842) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ZVJSMCOKTVLDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-13-10-15(25-8-2-3-9-25)5-6-16(13)24-18(26)14-4-7-17(23-11-14)27-12-19(20,21)22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,24,26).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46563842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).