6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide

C21H28FN5O — CID 156875434

IUPAC6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
SMILESCc1nc(NCCN2CCCC2)c(Cc2ccc(F)cc2)nc1C(=O)N(C)C
InChIInChI=1S/C21H28FN5O/c1-15-19(21(28)26(2)3)25-18(14-16-6-8-17(22)9-7-16)20(24-15)23-10-13-27-11-4-5-12-27/h6-9H,4-5,10-14H2,1-3H3,(H,23,24)
InChIKeyFHTUIYLYQKKRIC-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.72
Rot. Bonds7

About 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide

6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide (PubChem CID 156875434) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
PubChem CID156875434
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC Name6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
SMILESCc1nc(NCCN2CCCC2)c(Cc2ccc(F)cc2)nc1C(=O)N(C)C
InChIInChI=1S/C21H28FN5O/c1-15-19(21(28)26(2)3)25-18(14-16-6-8-17(22)9-7-16)20(24-15)23-10-13-27-11-4-5-12-27/h6-9H,4-5,10-14H2,1-3H3,(H,23,24)
InChIKeyFHTUIYLYQKKRIC-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide (CID 156875434) is 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide is Cc1nc(NCCN2CCCC2)c(Cc2ccc(F)cc2)nc1C(=O)N(C)C.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
The InChIKey is FHTUIYLYQKKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O/c1-15-19(21(28)26(2)3)25-18(14-16-6-8-17(22)9-7-16)20(24-15)23-10-13-27-11-4-5-12-27/h6-9H,4-5,10-14H2,1-3H3,(H,23,24).
What are the key properties of 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-N,N,3-trimethyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 156875434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).