5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide

C18H23FN4O — CID 109281705

IUPAC5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H23FN4O/c1-3-9-23(10-4-2)18(24)16-12-22-17(13-20-16)21-11-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,22)
InChIKeyZCNYNJLUAZHINL-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.49
Rot. Bonds8

About 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide

5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide (PubChem CID 109281705) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
PubChem CID109281705
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H23FN4O/c1-3-9-23(10-4-2)18(24)16-12-22-17(13-20-16)21-11-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,22)
InChIKeyZCNYNJLUAZHINL-UHFFFAOYSA-N
XLogP3.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280656
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285830
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109289002
5-(3-methoxypropylamino)-N,N-dipropylpyrazine-2-carboxamide
CID 109276273
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 107374760
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
N-[(4-fluorophenyl)methyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272170
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide (CID 109281705) is 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cnc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide?
The InChIKey is ZCNYNJLUAZHINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-9-23(10-4-2)18(24)16-12-22-17(13-20-16)21-11-14-5-7-15(19)8-6-14/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,21,22).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide?
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.49, 8 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,N-dipropylpyrazine-2-carboxamide is sourced from PubChem (CID 109281705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).