5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

C17H23N5O — CID 109277739

IUPAC5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C17H23N5O/c1-22(2)10-6-9-18-17(23)15-12-21-16(13-19-15)20-11-14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyDWCICXGHCBITEV-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.77
Rot. Bonds8

About 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 109277739) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
PubChem CID109277739
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C17H23N5O/c1-22(2)10-6-9-18-17(23)15-12-21-16(13-19-15)20-11-14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyDWCICXGHCBITEV-UHFFFAOYSA-N
XLogP1.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277751
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109277760
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (CID 109277739) is 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1cnc(NCc2ccccc2)cn1.
What is the InChIKey of 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is DWCICXGHCBITEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22(2)10-6-9-18-17(23)15-12-21-16(13-19-15)20-11-14-7-4-3-5-8-14/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).