N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

C26H29FN4O3 — CID 3195268

IUPACN-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccc(OC)cc1)C(=O)c1cnccn1
InChIInChI=1S/C26H29FN4O3/c1-5-26(2,3)30-24(32)23(19-8-10-20(27)11-9-19)31(25(33)22-16-28-14-15-29-22)17-18-6-12-21(34-4)13-7-18/h6-16,23H,5,17H2,1-4H3,(H,30,32)
InChIKeyVLBUAXTVCVTFQZ-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.31
Rot. Bonds9

About N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 3195268) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID3195268
Molecular FormulaC26H29FN4O3
Molecular Weight464.54 g/mol
Exact Mass464.22
IUPAC NameN-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccc(OC)cc1)C(=O)c1cnccn1
InChIInChI=1S/C26H29FN4O3/c1-5-26(2,3)30-24(32)23(19-8-10-20(27)11-9-19)31(25(33)22-16-28-14-15-29-22)17-18-6-12-21(34-4)13-7-18/h6-16,23H,5,17H2,1-4H3,(H,30,32)
InChIKeyVLBUAXTVCVTFQZ-UHFFFAOYSA-N
XLogP4.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 3195268) is N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccc(OC)cc1)C(=O)c1cnccn1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is VLBUAXTVCVTFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-5-26(2,3)30-24(32)23(19-8-10-20(27)11-9-19)31(25(33)22-16-28-14-15-29-22)17-18-6-12-21(34-4)13-7-18/h6-16,23H,5,17H2,1-4H3,(H,30,32).
What are the key properties of N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 3195268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).