2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide

C20H21F3N4O4 — CID 9980554

IUPAC2-[3-(carbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)N)C2=CC=CC=C2
InChIInChI=1S/C20H21F3N4O4/c1-11(2)16(17(29)20(21,22)23)26-15(28)10-27-14(12-6-4-3-5-7-12)9-8-13(18(27)30)25-19(24)31/h3-9,11,16H,10H2,1-2H3,(H,26,28)(H3,24,25,31)
InChIKeyDFKVKZJKBHMSEF-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.40
Rot. Bonds7

About 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide

2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide (PubChem CID 9980554) has the molecular formula C20H21F3N4O4 and a molecular weight of 438.40 g/mol. Its IUPAC name is 2-[3-(carbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
PubChem CID9980554
Molecular FormulaC20H21F3N4O4
Molecular Weight438.40 g/mol
Exact Mass438.15
IUPAC Name2-[3-(carbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)N)C2=CC=CC=C2
InChIInChI=1S/C20H21F3N4O4/c1-11(2)16(17(29)20(21,22)23)26-15(28)10-27-14(12-6-4-3-5-7-12)9-8-13(18(27)30)25-19(24)31/h3-9,11,16H,10H2,1-2H3,(H,26,28)(H3,24,25,31)
InChIKeyDFKVKZJKBHMSEF-UHFFFAOYSA-N
XLogP2.40
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity799

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tentoxin
CID 5281143
2-[3-(1,1-Dimethyl-2-phenyl-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10257948
Ac-N(Bn)Gly-Val-Pro-Val-CF3
CID 73351831
N-[1-(2-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488626
N-[1-(3-Fluoro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-3-methyl-butyramide
CID 6488664
2-Oxo-3-[[(methylamino)sulfonyl]amino]-6-phenyl-N-[1-(trifluoroacetyl)-2-methylpropyl]pyridine-1(2H)-acetamide
CID 1636
2-[2-(4-Fluoro-phenyl)-5-methylamino-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10002668
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10024782
2-(3-methylsulfonylamino-2-oxo-6-phenyl-1,2-dihydro-1-pyridyl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)acetamide
CID 10027816
2-((R)-3-Methyl-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10028039
2-(3-Ethylamino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10093766
2-(3-Amino-2-oxo-6-phenyl-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10250073

Frequently Asked Questions

What is the IUPAC name of 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide?
The IUPAC name of 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide (CID 9980554) is 2-[3-(carbamoylamino)-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide?
The canonical SMILES for 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide is CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)N)C2=CC=CC=C2.
What is the InChIKey of 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide?
The InChIKey is DFKVKZJKBHMSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4/c1-11(2)16(17(29)20(21,22)23)26-15(28)10-27-14(12-6-4-3-5-7-12)9-8-13(18(27)30)25-19(24)31/h3-9,11,16H,10H2,1-2H3,(H,26,28)(H3,24,25,31).
What are the key properties of 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide?
2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide has a molecular weight of 438.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Oxo-6-phenyl-3-ureido-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide is sourced from PubChem (CID 9980554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).