N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide

C17H22N4O — CID 109271148

IUPACN-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(CC)c2cccc(C)c2)cn1
InChIInChI=1S/C17H22N4O/c1-4-9-18-16-12-19-15(11-20-16)17(22)21(5-2)14-8-6-7-13(3)10-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyDCNBYZCKMVRDAR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide

N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 109271148) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID109271148
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(CC)c2cccc(C)c2)cn1
InChIInChI=1S/C17H22N4O/c1-4-9-18-16-12-19-15(11-20-16)17(22)21(5-2)14-8-6-7-13(3)10-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,18,20)
InChIKeyDCNBYZCKMVRDAR-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-(3-methylphenyl)-5-(propylamino)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-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109287454
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
5-(3-chloroanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109292815
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
5-(5-chloro-2-methoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109293352
N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
N-methyl-N-(3-methylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62174886
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104640621

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide (CID 109271148) is N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)N(CC)c2cccc(C)c2)cn1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is DCNBYZCKMVRDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-9-18-16-12-19-15(11-20-16)17(22)21(5-2)14-8-6-7-13(3)10-14/h6-8,10-12H,4-5,9H2,1-3H3,(H,18,20).
What are the key properties of N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide?
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).