N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide

C20H17N5O — CID 109281016

IUPACN-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
SMILESCC(Nc1cnc(C(=O)Nc2ccc(C#N)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H17N5O/c1-14(16-5-3-2-4-6-16)24-19-13-22-18(12-23-19)20(26)25-17-9-7-15(11-21)8-10-17/h2-10,12-14H,1H3,(H,23,24)(H,25,26)
InChIKeyUFUYXNHUVCXNIY-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.77
Rot. Bonds5

About N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide

N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide (PubChem CID 109281016) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
PubChem CID109281016
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
SMILESCC(Nc1cnc(C(=O)Nc2ccc(C#N)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H17N5O/c1-14(16-5-3-2-4-6-16)24-19-13-22-18(12-23-19)20(26)25-17-9-7-15(11-21)8-10-17/h2-10,12-14H,1H3,(H,23,24)(H,25,26)
InChIKeyUFUYXNHUVCXNIY-UHFFFAOYSA-N
XLogP3.77
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109280985
methyl 3-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280992
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
N-(4-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294086
methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280991
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122
2-N-(4-cyanophenyl)-6-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109100676

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide (CID 109281016) is N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide is CC(Nc1cnc(C(=O)Nc2ccc(C#N)cc2)cn1)c1ccccc1.
What is the InChIKey of N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide?
The InChIKey is UFUYXNHUVCXNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14(16-5-3-2-4-6-16)24-19-13-22-18(12-23-19)20(26)25-17-9-7-15(11-21)8-10-17/h2-10,12-14H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide?
N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109281016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).