N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide

C19H18F3N5O3 — CID 53204367

IUPACN'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
SMILESCOc1cccc2nnc(NC(=O)CCC(=O)NCc3ccc(C(F)(F)F)cc3)n12
InChIInChI=1S/C19H18F3N5O3/c1-30-17-4-2-3-14-25-26-18(27(14)17)24-16(29)10-9-15(28)23-11-12-5-7-13(8-6-12)19(20,21)22/h2-8H,9-11H2,1H3,(H,23,28)(H,24,26,29)
InChIKeyFYUXDXIVZWQWJG-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.79
Rot. Bonds7

About N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide

N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide (PubChem CID 53204367) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide.

Molecular Properties

Compound NameN'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
PubChem CID53204367
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
SMILESCOc1cccc2nnc(NC(=O)CCC(=O)NCc3ccc(C(F)(F)F)cc3)n12
InChIInChI=1S/C19H18F3N5O3/c1-30-17-4-2-3-14-25-26-18(27(14)17)24-16(29)10-9-15(28)23-11-12-5-7-13(8-6-12)19(20,21)22/h2-8H,9-11H2,1H3,(H,23,28)(H,24,26,29)
InChIKeyFYUXDXIVZWQWJG-UHFFFAOYSA-N
XLogP2.79
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide with MolForge

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Related Compounds

1-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 53204479
N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide
CID 53204336
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911

Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
The IUPAC name of N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide (CID 53204367) is N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide.
What is the SMILES notation for N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
The canonical SMILES for N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide is COc1cccc2nnc(NC(=O)CCC(=O)NCc3ccc(C(F)(F)F)cc3)n12.
What is the InChIKey of N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
The InChIKey is FYUXDXIVZWQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-30-17-4-2-3-14-25-26-18(27(14)17)24-16(29)10-9-15(28)23-11-12-5-7-13(8-6-12)19(20,21)22/h2-8H,9-11H2,1H3,(H,23,28)(H,24,26,29).
What are the key properties of N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide has a molecular weight of 421.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide is sourced from PubChem (CID 53204367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).