N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide

C17H19FN2O — CID 170148732

IUPACN-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2ccc(F)c(C(C)(C)C)c2)c1
InChIInChI=1S/C17H19FN2O/c1-11-7-8-19-15(9-11)16(21)20-12-5-6-14(18)13(10-12)17(2,3)4/h5-10H,1-4H3,(H,20,21)
InChIKeyIVPQURLRPKLZDN-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.08
Rot. Bonds2

About N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide

N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide (PubChem CID 170148732) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide
PubChem CID170148732
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)Nc2ccc(F)c(C(C)(C)C)c2)c1
InChIInChI=1S/C17H19FN2O/c1-11-7-8-19-15(9-11)16(21)20-12-5-6-14(18)13(10-12)17(2,3)4/h5-10H,1-4H3,(H,20,21)
InChIKeyIVPQURLRPKLZDN-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
N-(5-tert-butyl-4-chloro-2-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 170148744
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 170149403
2-N-(3,4-difluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091189
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
N-(2-fluoro-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62242371
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
4-N-(2-tert-butylphenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091209
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide (CID 170148732) is N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)Nc2ccc(F)c(C(C)(C)C)c2)c1.
What is the InChIKey of N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide?
The InChIKey is IVPQURLRPKLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-7-8-19-15(9-11)16(21)20-12-5-6-14(18)13(10-12)17(2,3)4/h5-10H,1-4H3,(H,20,21).
What are the key properties of N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide?
N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 170148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).