5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

C19H18FN5O — CID 109285014

IUPAC5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C19H18FN5O/c1-25(11-8-14-6-9-21-10-7-14)19(26)17-12-23-18(13-22-17)24-16-5-3-2-4-15(16)20/h2-7,9-10,12-13H,8,11H2,1H3,(H,23,24)
InChIKeyAFQSVARZWGKFRF-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.07
Rot. Bonds6

About 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 109285014) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID109285014
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cnc(Nc2ccccc2F)cn1
InChIInChI=1S/C19H18FN5O/c1-25(11-8-14-6-9-21-10-7-14)19(26)17-12-23-18(13-22-17)24-16-5-3-2-4-15(16)20/h2-7,9-10,12-13H,8,11H2,1H3,(H,23,24)
InChIKeyAFQSVARZWGKFRF-UHFFFAOYSA-N
XLogP3.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285050
5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109284979
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
2-N-(2-fluorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098699
N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109280643
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
5-(2-bromoanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288311
6-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109121915
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (CID 109285014) is 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is CN(CCc1ccncc1)C(=O)c1cnc(Nc2ccccc2F)cn1.
What is the InChIKey of 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is AFQSVARZWGKFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-25(11-8-14-6-9-21-10-7-14)19(26)17-12-23-18(13-22-17)24-16-5-3-2-4-15(16)20/h2-7,9-10,12-13H,8,11H2,1H3,(H,23,24).
What are the key properties of 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).