N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide

C22H24N4O3 — CID 7232177

IUPACN-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N[C@H](C)c2ccccc2)Cc2ccco2)cn1
InChIInChI=1S/C22H24N4O3/c1-16-13-24-20(14-23-16)22(28)26(15-19-9-6-12-29-19)11-10-21(27)25-17(2)18-7-4-3-5-8-18/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyKBIMZQNZYGEFAJ-QGZVFWFLSA-N
MW392.46 g/mol
LogP3.29
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide

N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 7232177) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID7232177
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)N[C@H](C)c2ccccc2)Cc2ccco2)cn1
InChIInChI=1S/C22H24N4O3/c1-16-13-24-20(14-23-16)22(28)26(15-19-9-6-12-29-19)11-10-21(27)25-17(2)18-7-4-3-5-8-18/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyKBIMZQNZYGEFAJ-QGZVFWFLSA-N
XLogP3.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 816538
N-(furan-2-ylmethyl)-2,5-dimethyl-N-[3-oxo-3-(1-phenylethylamino)propyl]furan-3-carboxamide
CID 4115745
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
3-[(2-bromophenyl)carbamoyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
CID 42699907
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 42783473
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 4129422
2-[acetyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 113160988
5-methyl-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 42783039
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide (CID 7232177) is N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)N[C@H](C)c2ccccc2)Cc2ccco2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is KBIMZQNZYGEFAJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-13-24-20(14-23-16)22(28)26(15-19-9-6-12-29-19)11-10-21(27)25-17(2)18-7-4-3-5-8-18/h3-9,12-14,17H,10-11,15H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide?
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 7232177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).