5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

C20H22N4O2 — CID 109279384

IUPAC5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)14-6-8-15(9-7-14)24-18-13-21-17(12-22-18)19(25)23-11-16-5-4-10-26-16/h4-10,12-13H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKXCYADTVUYCWMQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.04
Rot. Bonds5

About 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide

5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109279384) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109279384
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)14-6-8-15(9-7-14)24-18-13-21-17(12-22-18)19(25)23-11-16-5-4-10-26-16/h4-10,12-13H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKXCYADTVUYCWMQ-UHFFFAOYSA-N
XLogP4.04
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
6-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346381
N-(furan-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109279444
N-(furan-2-ylmethyl)-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279400
5-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279368
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998
5-(4-bromo-2-methylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279436
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
5-(furan-2-ylmethylamino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109279520
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
CID 109273223

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide (CID 109279384) is 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is CC(C)(C)c1ccc(Nc2cnc(C(=O)NCc3ccco3)cn2)cc1.
What is the InChIKey of 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is KXCYADTVUYCWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)14-6-8-15(9-7-14)24-18-13-21-17(12-22-18)19(25)23-11-16-5-4-10-26-16/h4-10,12-13H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide?
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).