5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

C18H25N5O2 — CID 109277919

IUPAC5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17-13-20-16(12-21-17)18(24)22-11-14-5-7-15(25-3)8-6-14/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21)(H,22,24)
InChIKeyPVEUYDHZMHJARB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.78
Rot. Bonds9

About 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109277919) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109277919
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(NCCCN(C)C)cn2)cc1
InChIInChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17-13-20-16(12-21-17)18(24)22-11-14-5-7-15(25-3)8-6-14/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21)(H,22,24)
InChIKeyPVEUYDHZMHJARB-UHFFFAOYSA-N
XLogP1.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
6-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109344701
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109277919) is 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(NCCCN(C)C)cn2)cc1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is PVEUYDHZMHJARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-23(2)10-4-9-19-17-13-20-16(12-21-17)18(24)22-11-14-5-7-15(25-3)8-6-14/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21)(H,22,24).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109277919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).