N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C22H24N4O — CID 109279989

IUPACN-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-17-8-5-6-12-19(17)14-26-22(27)20-15-25-21(16-24-20)23-13-7-11-18-9-3-2-4-10-18/h2-6,8-10,12,15-16H,7,11,13-14H2,1H3,(H,23,25)(H,26,27)
InChIKeyDBTBIRVZJAWPCI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.76
Rot. Bonds8

About N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide

N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 109279989) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID109279989
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-17-8-5-6-12-19(17)14-26-22(27)20-15-25-21(16-24-20)23-13-7-11-18-9-3-2-4-10-18/h2-6,8-10,12,15-16H,7,11,13-14H2,1H3,(H,23,25)(H,26,27)
InChIKeyDBTBIRVZJAWPCI-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.76
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-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109279954
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279990
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287092
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 109279989) is N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cnc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is DBTBIRVZJAWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-8-5-6-12-19(17)14-26-22(27)20-15-25-21(16-24-20)23-13-7-11-18-9-3-2-4-10-18/h2-6,8-10,12,15-16H,7,11,13-14H2,1H3,(H,23,25)(H,26,27).
What are the key properties of N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).