N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide

C20H23FN4O2 — CID 110248463

IUPACN-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(C(=O)CCc2ccc(F)cc2)CC1)c1cnccn1
InChIInChI=1S/C20H23FN4O2/c21-16-6-3-15(4-7-16)5-8-19(26)25-12-1-2-17(9-13-25)24-20(27)18-14-22-10-11-23-18/h3-4,6-7,10-11,14,17H,1-2,5,8-9,12-13H2,(H,24,27)
InChIKeyBBNOAGBBEWSFHS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.36
Rot. Bonds5

About N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide

N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide (PubChem CID 110248463) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide
PubChem CID110248463
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCN(C(=O)CCc2ccc(F)cc2)CC1)c1cnccn1
InChIInChI=1S/C20H23FN4O2/c21-16-6-3-15(4-7-16)5-8-19(26)25-12-1-2-17(9-13-25)24-20(27)18-14-22-10-11-23-18/h3-4,6-7,10-11,14,17H,1-2,5,8-9,12-13H2,(H,24,27)
InChIKeyBBNOAGBBEWSFHS-UHFFFAOYSA-N
XLogP2.36
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorobutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108562614
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N'-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]oxamide
CID 173093781
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557401
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935670
2-cyano-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108922373
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 108557391
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide (CID 110248463) is N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide is O=C(NC1CCCN(C(=O)CCc2ccc(F)cc2)CC1)c1cnccn1.
What is the InChIKey of N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide?
The InChIKey is BBNOAGBBEWSFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-6-3-15(4-7-16)5-8-19(26)25-12-1-2-17(9-13-25)24-20(27)18-14-22-10-11-23-18/h3-4,6-7,10-11,14,17H,1-2,5,8-9,12-13H2,(H,24,27).
What are the key properties of N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide?
N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluorophenyl)propanoyl]azepan-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 110248463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).