N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

C16H20N4O3 — CID 109271491

IUPACN-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NC(C)C)cn2)cc1OC
InChIInChI=1S/C16H20N4O3/c1-10(2)19-15-9-17-12(8-18-15)16(21)20-11-5-6-13(22-3)14(7-11)23-4/h5-10H,1-4H3,(H,18,19)(H,20,21)
InChIKeyUMFUYMCRHJDGAT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (PubChem CID 109271491) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
PubChem CID109271491
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NC(C)C)cn2)cc1OC
InChIInChI=1S/C16H20N4O3/c1-10(2)19-15-9-17-12(8-18-15)16(21)20-11-5-6-13(22-3)14(7-11)23-4/h5-10H,1-4H3,(H,18,19)(H,20,21)
InChIKeyUMFUYMCRHJDGAT-UHFFFAOYSA-N
XLogP2.57
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
N-(3,4-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195662
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271524
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
N-(2,6-difluorophenyl)-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109293971
5-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)pyrazine-2-carboxamide
CID 107374487

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide (CID 109271491) is N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(NC(C)C)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
The InChIKey is UMFUYMCRHJDGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(2)19-15-9-17-12(8-18-15)16(21)20-11-5-6-13(22-3)14(7-11)23-4/h5-10H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109271491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).