N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide

C17H18ClFN2O — CID 170148744

IUPACN-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2cc(C(C)(C)C)c(Cl)cc2F)c1
InChIInChI=1S/C17H18ClFN2O/c1-10-5-6-20-15(7-10)16(22)21-14-8-11(17(2,3)4)12(18)9-13(14)19/h5-9H,1-4H3,(H,21,22)
InChIKeyBINFTFCMNZISJV-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.73
Rot. Bonds2

About N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide

N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide (PubChem CID 170148744) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide
PubChem CID170148744
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC NameN-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2cc(C(C)(C)C)c(Cl)cc2F)c1
InChIInChI=1S/C17H18ClFN2O/c1-10-5-6-20-15(7-10)16(22)21-14-8-11(17(2,3)4)12(18)9-13(14)19/h5-9H,1-4H3,(H,21,22)
InChIKeyBINFTFCMNZISJV-UHFFFAOYSA-N
XLogP4.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 170148732
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62242371
4-methyl-N-sulfanylpyridine-2-carboxamide
CID 91479980
4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091209
4-N-(2,4-difluorophenyl)-2-N-(2,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091777
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
2-N-(2,4-difluorophenyl)-4-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091819
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(1-amino-2-methylpropan-2-yl)-4-methylpyridine-2-carboxamide
CID 110833934

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide (CID 170148744) is N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)Nc2cc(C(C)(C)C)c(Cl)cc2F)c1.
What is the InChIKey of N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide?
The InChIKey is BINFTFCMNZISJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-10-5-6-20-15(7-10)16(22)21-14-8-11(17(2,3)4)12(18)9-13(14)19/h5-9H,1-4H3,(H,21,22).
What are the key properties of N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide?
N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide has a molecular weight of 320.80 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 170148744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).