N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide

C19H20F4N4O2 — CID 130473130

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N(C)C)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H20F4N4O2/c1-11(2)18(29)27(10-16(28)26(3)4)15-6-5-14(25-17(15)19(21,22)23)12-7-13(20)9-24-8-12/h5-9,11H,10H2,1-4H3
InChIKeyCOWHEYUFKXVPCS-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide

N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide (PubChem CID 130473130) has the molecular formula C19H20F4N4O2 and a molecular weight of 412.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
PubChem CID130473130
Molecular FormulaC19H20F4N4O2
Molecular Weight412.39 g/mol
Exact Mass412.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)N(CC(=O)N(C)C)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F
InChIInChI=1S/C19H20F4N4O2/c1-11(2)18(29)27(10-16(28)26(3)4)15-6-5-14(25-17(15)19(21,22)23)12-7-13(20)9-24-8-12/h5-9,11H,10H2,1-4H3
InChIKeyCOWHEYUFKXVPCS-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide (CID 130473130) is N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)N(CC(=O)N(C)C)c1ccc(-c2cncc(F)c2)nc1C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?
The InChIKey is COWHEYUFKXVPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2/c1-11(2)18(29)27(10-16(28)26(3)4)15-6-5-14(25-17(15)19(21,22)23)12-7-13(20)9-24-8-12/h5-9,11H,10H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 412.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 130473130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).