N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C20H18F2N4O — CID 109287128

IUPACN-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C20H18F2N4O/c21-16-9-8-15(11-17(16)22)26-20(27)18-12-25-19(13-24-18)23-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,23,25)(H,26,27)
InChIKeyKQLNUQRRQVFHJT-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.05
Rot. Bonds7

About N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 109287128) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID109287128
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C20H18F2N4O/c21-16-9-8-15(11-17(16)22)26-20(27)18-12-25-19(13-24-18)23-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,23,25)(H,26,27)
InChIKeyKQLNUQRRQVFHJT-UHFFFAOYSA-N
XLogP4.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109284021
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194918
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
N-(4-fluorophenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283961
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 109287128) is N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cnc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is KQLNUQRRQVFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c21-16-9-8-15(11-17(16)22)26-20(27)18-12-25-19(13-24-18)23-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,23,25)(H,26,27).
What are the key properties of N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).