5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide

C16H20N4O2 — CID 109287391

IUPAC5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-14-10-17-12(9-18-14)15(21)19-11-7-5-6-8-13(11)22-4/h5-10H,1-4H3,(H,18,20)(H,19,21)
InChIKeyPDDVAFNQOYWSFQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.95
Rot. Bonds4

About 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide

5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109287391) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109287391
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(NC(C)(C)C)cn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-14-10-17-12(9-18-14)15(21)19-11-7-5-6-8-13(11)22-4/h5-10H,1-4H3,(H,18,20)(H,19,21)
InChIKeyPDDVAFNQOYWSFQ-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxyethylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109275954
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109291424
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
5-(5-chloro-2-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293027
N-(2-methoxyphenyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109293403
5-(2-methoxyanilino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109293435
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1369664
5-(ethylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 104639682

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide (CID 109287391) is 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide is COc1ccccc1NC(=O)c1cnc(NC(C)(C)C)cn1.
What is the InChIKey of 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is PDDVAFNQOYWSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)20-14-10-17-12(9-18-14)15(21)19-11-7-5-6-8-13(11)22-4/h5-10H,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).