2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide

C17H17F3N4O3 — CID 91758299

IUPAC2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)(F)F)ccn1
InChIInChI=1S/C17H17F3N4O3/c1-10(2)15(25)24-14-7-11(3-6-22-14)16(26)23-12-8-21-5-4-13(12)27-9-17(18,19)20/h3-8,10H,9H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyNGSGOYFKVYMHAD-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.26
Rot. Bonds6

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

2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 91758299) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID91758299
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)(F)F)ccn1
InChIInChI=1S/C17H17F3N4O3/c1-10(2)15(25)24-14-7-11(3-6-22-14)16(26)23-12-8-21-5-4-13(12)27-9-17(18,19)20/h3-8,10H,9H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyNGSGOYFKVYMHAD-UHFFFAOYSA-N
XLogP3.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide (CID 91758299) is 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide is CC(C)C(=O)Nc1cc(C(=O)Nc2cnccc2OCC(F)(F)F)ccn1.
What is the InChIKey of 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is NGSGOYFKVYMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-10(2)15(25)24-14-7-11(3-6-22-14)16(26)23-12-8-21-5-4-13(12)27-9-17(18,19)20/h3-8,10H,9H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide?
2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropanoylamino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 91758299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).