5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

C22H30N4O2 — CID 42783039

IUPAC5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NC(C)C(C)C)CCc2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-16(2)18(4)25-21(27)11-13-26(12-10-19-8-6-5-7-9-19)22(28)20-15-23-17(3)14-24-20/h5-9,14-16,18H,10-13H2,1-4H3,(H,25,27)
InChIKeyIKLKLYGVCLRSSE-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.02
Rot. Bonds9

About 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide

5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (PubChem CID 42783039) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
PubChem CID42783039
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NC(C)C(C)C)CCc2ccccc2)cn1
InChIInChI=1S/C22H30N4O2/c1-16(2)18(4)25-21(27)11-13-26(12-10-19-8-6-5-7-9-19)22(28)20-15-23-17(3)14-24-20/h5-9,14-16,18H,10-13H2,1-4H3,(H,25,27)
InChIKeyIKLKLYGVCLRSSE-UHFFFAOYSA-N
XLogP3.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[3-(3-methylbutylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4150125
5-methyl-N-(3-morpholin-4-ylpropyl)-N-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]pyrazine-2-carboxamide
CID 3307273
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
5-methyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783038
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
5-methyl-N-phenyl-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 47081614
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
diethyl-[(4S)-4-[3-[(5-methylpyrazine-2-carbonyl)-propylamino]propanoylamino]pentyl]azanium
CID 7293187
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide (CID 42783039) is 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NC(C)C(C)C)CCc2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is IKLKLYGVCLRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16(2)18(4)25-21(27)11-13-26(12-10-19-8-6-5-7-9-19)22(28)20-15-23-17(3)14-24-20/h5-9,14-16,18H,10-13H2,1-4H3,(H,25,27).
What are the key properties of 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide?
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 42783039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).