N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide

C22H23FN4O — CID 109172598

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H23FN4O/c1-27(15-10-18-6-11-24-12-7-18)21-16-19(9-14-25-21)22(28)26-13-8-17-2-4-20(23)5-3-17/h2-7,9,11-12,14,16H,8,10,13,15H2,1H3,(H,26,28)
InChIKeyHXFLBQZQQWGDRM-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.27
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (PubChem CID 109172598) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
PubChem CID109172598
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)c1cc(C(=O)NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H23FN4O/c1-27(15-10-18-6-11-24-12-7-18)21-16-19(9-14-25-21)22(28)26-13-8-17-2-4-20(23)5-3-17/h2-7,9,11-12,14,16H,8,10,13,15H2,1H3,(H,26,28)
InChIKeyHXFLBQZQQWGDRM-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109173178
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
N-[2-(4-fluorophenyl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62185958
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109173218
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
2-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172478

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (CID 109172598) is N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is CN(CCc1ccncc1)c1cc(C(=O)NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The InChIKey is HXFLBQZQQWGDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-27(15-10-18-6-11-24-12-7-18)21-16-19(9-14-25-21)22(28)26-13-8-17-2-4-20(23)5-3-17/h2-7,9,11-12,14,16H,8,10,13,15H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 109172598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).