5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide

C17H20N4O2 — CID 42783473

IUPAC5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C17H20N4O2/c1-12-10-20-15(11-19-12)17(23)18-9-8-16(22)21-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyZHGSHSRMDKARFD-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.78
Rot. Bonds6

About 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide

5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 42783473) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
PubChem CID42783473
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C17H20N4O2/c1-12-10-20-15(11-19-12)17(23)18-9-8-16(22)21-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyZHGSHSRMDKARFD-UHFFFAOYSA-N
XLogP1.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
5-methyl-N-(2-phenylpropyl)pyrazine-2-carboxamide
CID 18209356
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1031758
N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
5-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
(2S)-2-[(5-methylpyrazine-2-carbonyl)amino]-2-phenylacetic acid
CID 30114448
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
N-[(1R)-2-ethyl-1-phenylbutyl]-5-methylpyrazine-2-carboxamide
CID 129102829
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
5-methyl-N-(2-phenylmethoxyethyl)pyrazine-2-carboxamide
CID 71865584

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide (CID 42783473) is 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCCC(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is ZHGSHSRMDKARFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-20-15(11-19-12)17(23)18-9-8-16(22)21-13(2)14-6-4-3-5-7-14/h3-7,10-11,13H,8-9H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide?
5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 42783473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).