N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

C22H20ClF3N4O3 — CID 137301854

IUPACN-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2cc(=O)[nH]c(-c3cc(CNC(=O)C(C)(C)C(F)(F)F)ccc3Cl)n2)cn1
InChIInChI=1S/C22H20ClF3N4O3/c1-21(2,22(24,25)26)20(32)28-10-12-4-6-15(23)14(8-12)19-29-16(9-17(31)30-19)13-5-7-18(33-3)27-11-13/h4-9,11H,10H2,1-3H3,(H,28,32)(H,29,30,31)
InChIKeyOXDRVHXYFMIULJ-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.37
Rot. Bonds6

About N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 137301854) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID137301854
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC NameN-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2cc(=O)[nH]c(-c3cc(CNC(=O)C(C)(C)C(F)(F)F)ccc3Cl)n2)cn1
InChIInChI=1S/C22H20ClF3N4O3/c1-21(2,22(24,25)26)20(32)28-10-12-4-6-15(23)14(8-12)19-29-16(9-17(31)30-19)13-5-7-18(33-3)27-11-13/h4-9,11H,10H2,1-3H3,(H,28,32)(H,29,30,31)
InChIKeyOXDRVHXYFMIULJ-UHFFFAOYSA-N
XLogP4.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 137301854) is N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is COc1ccc(-c2cc(=O)[nH]c(-c3cc(CNC(=O)C(C)(C)C(F)(F)F)ccc3Cl)n2)cn1.
What is the InChIKey of N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is OXDRVHXYFMIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-21(2,22(24,25)26)20(32)28-10-12-4-6-15(23)14(8-12)19-29-16(9-17(31)30-19)13-5-7-18(33-3)27-11-13/h4-9,11H,10H2,1-3H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 480.87 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 137301854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).