4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C17H19FN2O — CID 20627948

IUPAC4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-17(2,3)13-8-9-19-15(10-13)16(21)20-11-12-4-6-14(18)7-5-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeySRNNYTBQPKTWTB-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.45
Rot. Bonds3

About 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 20627948) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID20627948
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-17(2,3)13-8-9-19-15(10-13)16(21)20-11-12-4-6-14(18)7-5-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeySRNNYTBQPKTWTB-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 20627948) is 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is CC(C)(C)c1ccnc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is SRNNYTBQPKTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-17(2,3)13-8-9-19-15(10-13)16(21)20-11-12-4-6-14(18)7-5-12/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 20627948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).