5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide

C19H27N5O — CID 109287415

IUPAC5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)cc1
InChIInChI=1S/C19H27N5O/c1-6-24(7-2)15-10-8-14(9-11-15)22-18(25)16-12-21-17(13-20-16)23-19(3,4)5/h8-13H,6-7H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyBXZWROFVXZIJDQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.79
Rot. Bonds6

About 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide

5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide (PubChem CID 109287415) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
PubChem CID109287415
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)cc1
InChIInChI=1S/C19H27N5O/c1-6-24(7-2)15-10-8-14(9-11-15)22-18(25)16-12-21-17(13-20-16)23-19(3,4)5/h8-13H,6-7H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyBXZWROFVXZIJDQ-UHFFFAOYSA-N
XLogP3.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273070
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021
methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287411
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
5-[4-(diethylamino)anilino]-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289883
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(benzylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109188091
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide (CID 109287415) is 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)cc1.
What is the InChIKey of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide?
The InChIKey is BXZWROFVXZIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-6-24(7-2)15-10-8-14(9-11-15)22-18(25)16-12-21-17(13-20-16)23-19(3,4)5/h8-13H,6-7H2,1-5H3,(H,21,23)(H,22,25).
What are the key properties of 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide?
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109287415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).