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

C19H27N5O2 — CID 109277760

IUPACN-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CCNc1cnc(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C19H27N5O2/c1-24(2)12-6-10-21-19(25)16-13-23-18(14-22-16)20-11-9-15-7-4-5-8-17(15)26-3/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,23)(H,21,25)
InChIKeySRLZGDCDRVQIHU-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.82
Rot. Bonds10

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

N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide (PubChem CID 109277760) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
PubChem CID109277760
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
SMILESCOc1ccccc1CCNc1cnc(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C19H27N5O2/c1-24(2)12-6-10-21-19(25)16-13-23-18(14-22-16)20-11-9-15-7-4-5-8-17(15)26-3/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,23)(H,21,25)
InChIKeySRLZGDCDRVQIHU-UHFFFAOYSA-N
XLogP1.82
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.82
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

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
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
N-[2-(2-fluorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282286
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109275858
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
N-[2-(dimethylamino)ethyl]-6-[2-(2-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366189

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide (CID 109277760) is N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide is COc1ccccc1CCNc1cnc(C(=O)NCCCN(C)C)cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide?
The InChIKey is SRLZGDCDRVQIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-24(2)12-6-10-21-19(25)16-13-23-18(14-22-16)20-11-9-15-7-4-5-8-17(15)26-3/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.82, 10 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-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109277760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).