3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C27H21FN6O — CID 154604515

IUPAC3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F
InChIInChI=1S/C27H21FN6O/c1-16(22-20(28)10-6-14-31-22)32-27(35)25-26(29)34-23(17-7-3-2-4-8-17)24(33-25)19-11-12-21-18(15-19)9-5-13-30-21/h2-16H,1H3,(H2,29,34)(H,32,35)
InChIKeyDYOLGHFQYTZRQH-UHFFFAOYSA-N
MW464.50 g/mol
LogP4.97
Rot. Bonds5

About 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154604515) has the molecular formula C27H21FN6O and a molecular weight of 464.50 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
PubChem CID154604515
Molecular FormulaC27H21FN6O
Molecular Weight464.50 g/mol
Exact Mass464.18
IUPAC Name3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F
InChIInChI=1S/C27H21FN6O/c1-16(22-20(28)10-6-14-31-22)32-27(35)25-26(29)34-23(17-7-3-2-4-8-17)24(33-25)19-11-12-21-18(15-19)9-5-13-30-21/h2-16H,1H3,(H2,29,34)(H,32,35)
InChIKeyDYOLGHFQYTZRQH-UHFFFAOYSA-N
XLogP4.97
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154604515) is 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is CC(NC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2ccccc2)nc1N)c1ncccc1F.
What is the InChIKey of 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
The InChIKey is DYOLGHFQYTZRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O/c1-16(22-20(28)10-6-14-31-22)32-27(35)25-26(29)34-23(17-7-3-2-4-8-17)24(33-25)19-11-12-21-18(15-19)9-5-13-30-21/h2-16H,1H3,(H2,29,34)(H,32,35).
What are the key properties of 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?
3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-fluoro-2-pyridinyl)ethyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154604515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).