6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide

C15H16ClF3N4OSi — CID 166399067

IUPAC6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide
SMILESC[Si](C)(C)c1cc(C(=O)NCc2ncccn2)c(C(F)(F)F)nc1Cl
InChIInChI=1S/C15H16ClF3N4OSi/c1-25(2,3)10-7-9(12(15(17,18)19)23-13(10)16)14(24)22-8-11-20-5-4-6-21-11/h4-7H,8H2,1-3H3,(H,22,24)
InChIKeyIKGJNWNWLHNRAV-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.02
Rot. Bonds4

About 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide

6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide (PubChem CID 166399067) has the molecular formula C15H16ClF3N4OSi and a molecular weight of 388.85 g/mol. Its IUPAC name is 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide
PubChem CID166399067
Molecular FormulaC15H16ClF3N4OSi
Molecular Weight388.85 g/mol
Exact Mass388.07
IUPAC Name6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide
SMILESC[Si](C)(C)c1cc(C(=O)NCc2ncccn2)c(C(F)(F)F)nc1Cl
InChIInChI=1S/C15H16ClF3N4OSi/c1-25(2,3)10-7-9(12(15(17,18)19)23-13(10)16)14(24)22-8-11-20-5-4-6-21-11/h4-7H,8H2,1-3H3,(H,22,24)
InChIKeyIKGJNWNWLHNRAV-UHFFFAOYSA-N
XLogP3.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
N-[4-chloro-3-(pyrimidin-2-ylmethylcarbamoyl)phenyl]-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 46219905
N-[(4-chlorophenyl)methyl]-5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxamide
CID 2764664
2-chloro-N-ethyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 87369005
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
2-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10094871
N-methyl-2-(trifluoromethyl)pyridine-3-carboxamide
CID 58243821
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide (CID 166399067) is 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide is C[Si](C)(C)c1cc(C(=O)NCc2ncccn2)c(C(F)(F)F)nc1Cl.
What is the InChIKey of 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide?
The InChIKey is IKGJNWNWLHNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4OSi/c1-25(2,3)10-7-9(12(15(17,18)19)23-13(10)16)14(24)22-8-11-20-5-4-6-21-11/h4-7H,8H2,1-3H3,(H,22,24).
What are the key properties of 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide?
6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyrimidin-2-ylmethyl)-2-(trifluoromethyl)-5-trimethylsilylpyridine-3-carboxamide is sourced from PubChem (CID 166399067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).