N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide

C22H15ClF6N2O — CID 54581251

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nc(Cl)cc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H15ClF6N2O/c1-12-19(17(10-18(23)31-12)14-5-3-2-4-6-14)20(32)30-11-13-7-15(21(24,25)26)9-16(8-13)22(27,28)29/h2-10H,11H2,1H3,(H,30,32)
InChIKeyHXFSUWJMLSTMEH-UHFFFAOYSA-N
MW472.82 g/mol
LogP6.68
Rot. Bonds4

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide (PubChem CID 54581251) has the molecular formula C22H15ClF6N2O and a molecular weight of 472.82 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide
PubChem CID54581251
Molecular FormulaC22H15ClF6N2O
Molecular Weight472.82 g/mol
Exact Mass472.08
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide
SMILESCc1nc(Cl)cc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H15ClF6N2O/c1-12-19(17(10-18(23)31-12)14-5-3-2-4-6-14)20(32)30-11-13-7-15(21(24,25)26)9-16(8-13)22(27,28)29/h2-10H,11H2,1H3,(H,30,32)
InChIKeyHXFSUWJMLSTMEH-UHFFFAOYSA-N
XLogP6.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide (CID 54581251) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide is Cc1nc(Cl)cc(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide?
The InChIKey is HXFSUWJMLSTMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF6N2O/c1-12-19(17(10-18(23)31-12)14-5-3-2-4-6-14)20(32)30-11-13-7-15(21(24,25)26)9-16(8-13)22(27,28)29/h2-10H,11H2,1H3,(H,30,32).
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide has a molecular weight of 472.82 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-chloro-2-methyl-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 54581251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).