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

C22H23FN4O — CID 109214020

IUPAC4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C22H23FN4O/c1-27(15-10-17-6-11-24-12-7-17)22(28)21-16-19(9-14-26-21)25-13-8-18-4-2-3-5-20(18)23/h2-7,9,11-12,14,16H,8,10,13,15H2,1H3,(H,25,26)
InChIKeyUMDXNZCZAKOFBR-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.59
Rot. Bonds8

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

4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109214020) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109214020
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(NCCc2ccccc2F)ccn1
InChIInChI=1S/C22H23FN4O/c1-27(15-10-17-6-11-24-12-7-17)22(28)21-16-19(9-14-26-21)25-13-8-18-4-2-3-5-20(18)23/h2-7,9,11-12,14,16H,8,10,13,15H2,1H3,(H,25,26)
InChIKeyUMDXNZCZAKOFBR-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
N-[3-(dimethylamino)propyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109207743
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109214020) is 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CN(CCc1ccncc1)C(=O)c1cc(NCCc2ccccc2F)ccn1.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is UMDXNZCZAKOFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-27(15-10-17-6-11-24-12-7-17)22(28)21-16-19(9-14-26-21)25-13-8-18-4-2-3-5-20(18)23/h2-7,9,11-12,14,16H,8,10,13,15H2,1H3,(H,25,26).
What are the key properties of 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).