N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide

C23H25FN4O2 — CID 58853287

IUPACN-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide
SMILESCCCC(Nc1cncc(-c2ccc(NC(C)=O)c(OC)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c1-4-5-19(16-6-9-18(24)10-7-16)27-23-14-25-13-21(28-23)17-8-11-20(26-15(2)29)22(12-17)30-3/h6-14,19H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyDTWRZRBSGFUOPN-UHFFFAOYSA-N
MW408.48 g/mol
LogP5.20
Rot. Bonds8

About N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide

N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide (PubChem CID 58853287) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide
PubChem CID58853287
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide
SMILESCCCC(Nc1cncc(-c2ccc(NC(C)=O)c(OC)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c1-4-5-19(16-6-9-18(24)10-7-16)27-23-14-25-13-21(28-23)17-8-11-20(26-15(2)29)22(12-17)30-3/h6-14,19H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyDTWRZRBSGFUOPN-UHFFFAOYSA-N
XLogP5.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 23646825
3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenyl]urea
CID 23646826
3-(5-Cyanopyrazin-2-yl)-1-{2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl}urea
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3-(5-Cyanopyrazin-2-yl)-1-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea
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3-(5-Cyanopyrazin-2-yl)-1-[4-({[2-(dimethylamino)ethyl](methyl)amino}methyl)-2-methoxyphenyl]urea
CID 23646829
N-(2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-phenyl)-acetamide
CID 9869403
1-Ethyl-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11200965
1-ethyl-3-[2-methoxy-4-[6-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-4-yl]phenyl]urea
CID 11223897
1-[2-(Dimethylamino)ethyl]-3-[2-methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrazin-2-yl]phenyl]urea
CID 11397111
1-ethyl-3-[2-methoxy-4-[4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
CID 11418740

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide (CID 58853287) is N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide is CCCC(Nc1cncc(-c2ccc(NC(C)=O)c(OC)c2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide?
The InChIKey is DTWRZRBSGFUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-4-5-19(16-6-9-18(24)10-7-16)27-23-14-25-13-21(28-23)17-8-11-20(26-15(2)29)22(12-17)30-3/h6-14,19H,4-5H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide?
N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[1-(4-fluorophenyl)butylamino]pyrazin-2-yl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 58853287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).