5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H17ClF3N5O2 — CID 55741121

IUPAC5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H17ClF3N5O2/c1-12(13-3-5-15(6-4-13)28-11-24-10-26-28)27(2)18(29)14-7-16(20)17(25-8-14)30-9-19(21,22)23/h3-8,10-12H,9H2,1-2H3
InChIKeyDQBAUQUUPKKSPC-UHFFFAOYSA-N
MW439.83 g/mol
LogP4.09
Rot. Bonds6

About 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55741121) has the molecular formula C19H17ClF3N5O2 and a molecular weight of 439.83 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55741121
Molecular FormulaC19H17ClF3N5O2
Molecular Weight439.83 g/mol
Exact Mass439.10
IUPAC Name5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C19H17ClF3N5O2/c1-12(13-3-5-15(6-4-13)28-11-24-10-26-28)27(2)18(29)14-7-16(20)17(25-8-14)30-9-19(21,22)23/h3-8,10-12H,9H2,1-2H3
InChIKeyDQBAUQUUPKKSPC-UHFFFAOYSA-N
XLogP4.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 26129920
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 8820388
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 9471169
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
3-methoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17461750
2-chloro-4,5-difluoro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51201668
5-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740102
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
N-methyl-3,4-dipropoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471218
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51201655
methyl 4-[methyl-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]benzoate
CID 9471114
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55741121) is 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is DQBAUQUUPKKSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O2/c1-12(13-3-5-15(6-4-13)28-11-24-10-26-28)27(2)18(29)14-7-16(20)17(25-8-14)30-9-19(21,22)23/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 439.83 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55741121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).