N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide

C20H29N5O — CID 109287329

IUPACN-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)NC(C)(C)C)cn2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-7-25(8-2)15-9-10-16(14(3)11-15)23-18-13-21-17(12-22-18)19(26)24-20(4,5)6/h9-13H,7-8H2,1-6H3,(H,22,23)(H,24,26)
InChIKeyIDLVAJSEURBPGD-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.90
Rot. Bonds6

About N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide

N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide (PubChem CID 109287329) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
PubChem CID109287329
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2cnc(C(=O)NC(C)(C)C)cn2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-7-25(8-2)15-9-10-16(14(3)11-15)23-18-13-21-17(12-22-18)19(26)24-20(4,5)6/h9-13H,7-8H2,1-6H3,(H,22,23)(H,24,26)
InChIKeyIDLVAJSEURBPGD-UHFFFAOYSA-N
XLogP3.90
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.90
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-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109271738
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
N-tert-butyl-6-[4-(diethylamino)-2-methylanilino]-2-methylpyrimidine-4-carboxamide
CID 109373885
5-[4-(diethylamino)-2-methylanilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294643
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
N-[4-(diethylamino)-2-methylphenyl]-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272328
N-[4-(diethylamino)-2-methylphenyl]-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109294376
N-tert-butyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109287251
6-[4-(diethylamino)-2-methylanilino]-N-propylpyridazine-3-carboxamide
CID 109109386
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide (CID 109287329) is N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide is CCN(CC)c1ccc(Nc2cnc(C(=O)NC(C)(C)C)cn2)c(C)c1.
What is the InChIKey of N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
The InChIKey is IDLVAJSEURBPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-7-25(8-2)15-9-10-16(14(3)11-15)23-18-13-21-17(12-22-18)19(26)24-20(4,5)6/h9-13H,7-8H2,1-6H3,(H,22,23)(H,24,26).
What are the key properties of N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide?
N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide is sourced from PubChem (CID 109287329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).