N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide

C23H23FN4O2 — CID 5204065

IUPACN-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCc2ccccc2)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C23H23FN4O2/c1-17-13-26-21(15-25-17)23(30)28(16-19-7-9-20(24)10-8-19)12-11-22(29)27-14-18-5-3-2-4-6-18/h2-10,13,15H,11-12,14,16H2,1H3,(H,27,29)
InChIKeyRYQJULWFUJJCSG-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.27
Rot. Bonds8

About N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide

N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 5204065) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
PubChem CID5204065
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NCc2ccccc2)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C23H23FN4O2/c1-17-13-26-21(15-25-17)23(30)28(16-19-7-9-20(24)10-8-19)12-11-22(29)27-14-18-5-3-2-4-6-18/h2-10,13,15H,11-12,14,16H2,1H3,(H,27,29)
InChIKeyRYQJULWFUJJCSG-UHFFFAOYSA-N
XLogP3.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 4136501
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505
N-benzyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 5178704
N-benzyl-5-methyl-N-propylpyrazine-2-carboxamide
CID 78781899
N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 4653849
N-benzyl-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 1026347
5-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N-propylpyrazine-2-carboxamide
CID 4170520
N-hexyl-5-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pyrazine-2-carboxamide
CID 7230966
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide (CID 5204065) is N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NCc2ccccc2)Cc2ccc(F)cc2)cn1.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is RYQJULWFUJJCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-17-13-26-21(15-25-17)23(30)28(16-19-7-9-20(24)10-8-19)12-11-22(29)27-14-18-5-3-2-4-6-18/h2-10,13,15H,11-12,14,16H2,1H3,(H,27,29).
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide?
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 5204065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).