N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide

C19H26N4O — CID 109273223

IUPACN-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H26N4O/c1-6-13(2)22-18(24)16-11-21-17(12-20-16)23-15-9-7-14(8-10-15)19(3,4)5/h7-13H,6H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyJLVAGQBTBYIELX-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.05
Rot. Bonds5

About N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide

N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide (PubChem CID 109273223) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
PubChem CID109273223
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1
InChIInChI=1S/C19H26N4O/c1-6-13(2)22-18(24)16-11-21-17(12-20-16)23-15-9-7-14(8-10-15)19(3,4)5/h7-13H,6H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyJLVAGQBTBYIELX-UHFFFAOYSA-N
XLogP4.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-(4-piperidin-1-ylanilino)pyrazine-2-carboxamide
CID 109273265
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
N-butan-2-yl-5-(3,4-dimethoxyanilino)pyrazine-2-carboxamide
CID 109273249
5-(4-tert-butylanilino)-N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 109292315
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109181691
5-(4-tert-butylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279384
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303
N-butan-2-yl-5-(2-methoxy-5-methylanilino)pyrazine-2-carboxamide
CID 109273244
N-butan-2-yl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109273196
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
5-(ethylamino)-N-pentan-2-ylpyrazine-2-carboxamide
CID 107373939

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide (CID 109273223) is N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide is CCC(C)NC(=O)c1cnc(Nc2ccc(C(C)(C)C)cc2)cn1.
What is the InChIKey of N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide?
The InChIKey is JLVAGQBTBYIELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-6-13(2)22-18(24)16-11-21-17(12-20-16)23-15-9-7-14(8-10-15)19(3,4)5/h7-13H,6H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide?
N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-tert-butylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109273223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).