2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C24H24ClF3N4O — CID 58279805

IUPAC2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCc1nc(-c2ccccn2)nc(CC(C(=O)NCc2ccc(C(F)(F)F)cc2)C(C)C)c1Cl
InChIInChI=1S/C24H24ClF3N4O/c1-14(2)18(23(33)30-13-16-7-9-17(10-8-16)24(26,27)28)12-20-21(25)15(3)31-22(32-20)19-6-4-5-11-29-19/h4-11,14,18H,12-13H2,1-3H3,(H,30,33)
InChIKeyGUFACDFJYZJJOS-UHFFFAOYSA-N
MW476.93 g/mol
LogP5.65
Rot. Bonds7

About 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 58279805) has the molecular formula C24H24ClF3N4O and a molecular weight of 476.93 g/mol. Its IUPAC name is 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID58279805
Molecular FormulaC24H24ClF3N4O
Molecular Weight476.93 g/mol
Exact Mass476.16
IUPAC Name2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCc1nc(-c2ccccn2)nc(CC(C(=O)NCc2ccc(C(F)(F)F)cc2)C(C)C)c1Cl
InChIInChI=1S/C24H24ClF3N4O/c1-14(2)18(23(33)30-13-16-7-9-17(10-8-16)24(26,27)28)12-20-21(25)15(3)31-22(32-20)19-6-4-5-11-29-19/h4-11,14,18H,12-13H2,1-3H3,(H,30,33)
InChIKeyGUFACDFJYZJJOS-UHFFFAOYSA-N
XLogP5.65
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.93
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
Pyrimidine-4-carboxamide, 65
CID 44520946
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520962
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10270424
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 60
CID 44520957
Pyrimidine-4-carboxamide, 62
CID 44520958
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 58279805) is 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is Cc1nc(-c2ccccn2)nc(CC(C(=O)NCc2ccc(C(F)(F)F)cc2)C(C)C)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is GUFACDFJYZJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O/c1-14(2)18(23(33)30-13-16-7-9-17(10-8-16)24(26,27)28)12-20-21(25)15(3)31-22(32-20)19-6-4-5-11-29-19/h4-11,14,18H,12-13H2,1-3H3,(H,30,33).
What are the key properties of 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 476.93 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 58279805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).