N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide

C19H20BrF3N4O3 — CID 67509658

IUPACN-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Br)c2)cc(NC(=O)C(C)C)n1
InChIInChI=1S/C19H20BrF3N4O3/c1-10(2)16(28)27-15-6-13(4-11(3)26-15)17(29)24-7-12-5-14(20)18(25-8-12)30-9-19(21,22)23/h4-6,8,10H,7,9H2,1-3H3,(H,24,29)(H,26,27,28)
InChIKeyWTWBCZSCTRJJDF-UHFFFAOYSA-N
MW489.29 g/mol
LogP4.01
Rot. Bonds7

About N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 67509658) has the molecular formula C19H20BrF3N4O3 and a molecular weight of 489.29 g/mol. Its IUPAC name is N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID67509658
Molecular FormulaC19H20BrF3N4O3
Molecular Weight489.29 g/mol
Exact Mass488.07
IUPAC NameN-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Br)c2)cc(NC(=O)C(C)C)n1
InChIInChI=1S/C19H20BrF3N4O3/c1-10(2)16(28)27-15-6-13(4-11(3)26-15)17(29)24-7-12-5-14(20)18(25-8-12)30-9-19(21,22)23/h4-6,8,10H,7,9H2,1-3H3,(H,24,29)(H,26,27,28)
InChIKeyWTWBCZSCTRJJDF-UHFFFAOYSA-N
XLogP4.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510089
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 67509658) is N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)c(Br)c2)cc(NC(=O)C(C)C)n1.
What is the InChIKey of N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is WTWBCZSCTRJJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF3N4O3/c1-10(2)16(28)27-15-6-13(4-11(3)26-15)17(29)24-7-12-5-14(20)18(25-8-12)30-9-19(21,22)23/h4-6,8,10H,7,9H2,1-3H3,(H,24,29)(H,26,27,28).
What are the key properties of N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 489.29 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67509658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).