N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide

C16H21N5O — CID 109277174

IUPACN-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C16H21N5O/c1-12-4-6-13(7-5-12)20-15-11-18-14(10-19-15)16(22)17-8-9-21(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyWJYRLNUIHJAOLY-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide (PubChem CID 109277174) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
PubChem CID109277174
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
SMILESCc1ccc(Nc2cnc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C16H21N5O/c1-12-4-6-13(7-5-12)20-15-11-18-14(10-19-15)16(22)17-8-9-21(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)(H,19,20)
InChIKeyWJYRLNUIHJAOLY-UHFFFAOYSA-N
XLogP1.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277250
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
N-[3-(dimethylamino)propyl]-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109277864
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide (CID 109277174) is N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide is Cc1ccc(Nc2cnc(C(=O)NCCN(C)C)cn2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide?
The InChIKey is WJYRLNUIHJAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-4-6-13(7-5-12)20-15-11-18-14(10-19-15)16(22)17-8-9-21(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)(H,19,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).