N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide

C17H23N5O2 — CID 109277841

IUPACN-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C17H23N5O2/c1-22(2)10-4-9-18-17(23)15-11-20-16(12-19-15)21-13-5-7-14(24-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyPGJSGYUFSTWVBB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109277841) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109277841
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCCCN(C)C)cn2)cc1
InChIInChI=1S/C17H23N5O2/c1-22(2)10-4-9-18-17(23)15-11-20-16(12-19-15)21-13-5-7-14(24-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,20,21)
InChIKeyPGJSGYUFSTWVBB-UHFFFAOYSA-N
XLogP1.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109277174
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide (CID 109277841) is N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)NCCCN(C)C)cn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is PGJSGYUFSTWVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22(2)10-4-9-18-17(23)15-11-20-16(12-19-15)21-13-5-7-14(24-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,23)(H,20,21).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).