3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide

C20H20N4O2 — CID 86782024

IUPAC3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
SMILESCCn1ccnc(NCc2cccc(C(=O)Nc3ccccc3)c2)c1=O
InChIInChI=1S/C20H20N4O2/c1-2-24-12-11-21-18(20(24)26)22-14-15-7-6-8-16(13-15)19(25)23-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,22)(H,23,25)
InChIKeyZBYFCMGZDISDFV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.13
Rot. Bonds6

About 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide

3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide (PubChem CID 86782024) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
PubChem CID86782024
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide
SMILESCCn1ccnc(NCc2cccc(C(=O)Nc3ccccc3)c2)c1=O
InChIInChI=1S/C20H20N4O2/c1-2-24-12-11-21-18(20(24)26)22-14-15-7-6-8-16(13-15)19(25)23-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,22)(H,23,25)
InChIKeyZBYFCMGZDISDFV-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
1-ethyl-3-[(2-methoxy-4-pyridinyl)methylamino]pyrazin-2-one
CID 62996104
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 133471844
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide (CID 86782024) is 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide is CCn1ccnc(NCc2cccc(C(=O)Nc3ccccc3)c2)c1=O.
What is the InChIKey of 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide?
The InChIKey is ZBYFCMGZDISDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-24-12-11-21-18(20(24)26)22-14-15-7-6-8-16(13-15)19(25)23-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide?
3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide has a molecular weight of 348.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]-N-phenylbenzamide is sourced from PubChem (CID 86782024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).