5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C21H21FN4O — CID 109233675

IUPAC5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H21FN4O/c1-26(11-8-16-6-9-23-10-7-16)21(27)18-12-20(15-24-14-18)25-13-17-2-4-19(22)5-3-17/h2-7,9-10,12,14-15,25H,8,11,13H2,1H3
InChIKeyMYIFULQFBNLEOO-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.54
Rot. Bonds7

About 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109233675) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109233675
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H21FN4O/c1-26(11-8-16-6-9-23-10-7-16)21(27)18-12-20(15-24-14-18)25-13-17-2-4-19(22)5-3-17/h2-7,9-10,12,14-15,25H,8,11,13H2,1H3
InChIKeyMYIFULQFBNLEOO-UHFFFAOYSA-N
XLogP3.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N-[2-(dimethylamino)ethyl]-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109229102
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109233675) is 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is CN(CCc1ccncc1)C(=O)c1cncc(NCc2ccc(F)cc2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is MYIFULQFBNLEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-26(11-8-16-6-9-23-10-7-16)21(27)18-12-20(15-24-14-18)25-13-17-2-4-19(22)5-3-17/h2-7,9-10,12,14-15,25H,8,11,13H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109233675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).