2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide

C19H22FN5O2 — CID 120601681

IUPAC2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide
SMILESCC1CC(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CCN1
InChIInChI=1S/C19H22FN5O2/c1-12-10-15(6-7-21-12)25-19(27)17-16(22-8-9-23-17)18(26)24-11-13-2-4-14(20)5-3-13/h2-5,8-9,12,15,21H,6-7,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyTWRNFAFYSCXJSP-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.42
Rot. Bonds5

About 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide

2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide (PubChem CID 120601681) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide
PubChem CID120601681
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide
SMILESCC1CC(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CCN1
InChIInChI=1S/C19H22FN5O2/c1-12-10-15(6-7-21-12)25-19(27)17-16(22-8-9-23-17)18(26)24-11-13-2-4-14(20)5-3-13/h2-5,8-9,12,15,21H,6-7,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyTWRNFAFYSCXJSP-UHFFFAOYSA-N
XLogP1.42
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide (CID 120601681) is 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide is CC1CC(NC(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CCN1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide?
The InChIKey is TWRNFAFYSCXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12-10-15(6-7-21-12)25-19(27)17-16(22-8-9-23-17)18(26)24-11-13-2-4-14(20)5-3-13/h2-5,8-9,12,15,21H,6-7,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide?
2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-3-N-(2-methylpiperidin-4-yl)pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 120601681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).