N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

C23H25N5O — CID 109281129

IUPACN-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C23H25N5O/c1-27(17-18-7-3-2-4-8-18)23(29)21-15-25-22(16-24-21)26-19-9-11-20(12-10-19)28-13-5-6-14-28/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,25,26)
InChIKeyBETQGVPFBPEMRX-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.09
Rot. Bonds6

About N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide

N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (PubChem CID 109281129) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
PubChem CID109281129
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C23H25N5O/c1-27(17-18-7-3-2-4-8-18)23(29)21-15-25-22(16-24-21)26-19-9-11-20(12-10-19)28-13-5-6-14-28/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,25,26)
InChIKeyBETQGVPFBPEMRX-UHFFFAOYSA-N
XLogP4.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-butyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288302
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide (CID 109281129) is N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
The InChIKey is BETQGVPFBPEMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(17-18-7-3-2-4-8-18)23(29)21-15-25-22(16-24-21)26-19-9-11-20(12-10-19)28-13-5-6-14-28/h2-4,7-12,15-16H,5-6,13-14,17H2,1H3,(H,25,26).
What are the key properties of N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide?
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109281129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).