N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide

C21H25FN2O — CID 90203577

IUPACN-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(C)(C)C
InChIInChI=1S/C21H25FN2O/c1-21(2,3)24(4)20(25)18-12-11-17(15-7-8-15)19(23-18)13-14-5-9-16(22)10-6-14/h5-6,9-12,15H,7-8,13H2,1-4H3
InChIKeyXOYQWIDRMANBKH-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.56
Rot. Bonds4

About N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide

N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 90203577) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID90203577
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(C)(C)C
InChIInChI=1S/C21H25FN2O/c1-21(2,3)24(4)20(25)18-12-11-17(15-7-8-15)19(23-18)13-14-5-9-16(22)10-6-14/h5-6,9-12,15H,7-8,13H2,1-4H3
InChIKeyXOYQWIDRMANBKH-UHFFFAOYSA-N
XLogP4.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 90203577) is N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XOYQWIDRMANBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-21(2,3)24(4)20(25)18-12-11-17(15-7-8-15)19(23-18)13-14-5-9-16(22)10-6-14/h5-6,9-12,15H,7-8,13H2,1-4H3.
What are the key properties of N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide?
N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-6-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 90203577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).