3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide

C21H16FN7O — CID 69045198

IUPAC3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)n1
InChIInChI=1S/C21H16FN7O/c22-14-4-2-1-3-12(14)16-6-5-15(23)20(28-16)21(30)29-18-9-25-8-7-13(18)17-10-26-11-19(24)27-17/h1-11H,23H2,(H2,24,27)(H,29,30)
InChIKeyAQEZXJQHJXDUQL-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide

3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 69045198) has the molecular formula C21H16FN7O and a molecular weight of 401.41 g/mol. Its IUPAC name is 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID69045198
Molecular FormulaC21H16FN7O
Molecular Weight401.41 g/mol
Exact Mass401.14
IUPAC Name3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESNc1cncc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)n1
InChIInChI=1S/C21H16FN7O/c22-14-4-2-1-3-12(14)16-6-5-15(23)20(28-16)21(30)29-18-9-25-8-7-13(18)17-10-26-11-19(24)27-17/h1-11H,23H2,(H2,24,27)(H,29,30)
InChIKeyAQEZXJQHJXDUQL-UHFFFAOYSA-N
XLogP3.16
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 69045198) is 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide is Nc1cncc(-c2ccncc2NC(=O)c2nc(-c3ccccc3F)ccc2N)n1.
What is the InChIKey of 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is AQEZXJQHJXDUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O/c22-14-4-2-1-3-12(14)16-6-5-15(23)20(28-16)21(30)29-18-9-25-8-7-13(18)17-10-26-11-19(24)27-17/h1-11H,23H2,(H2,24,27)(H,29,30).
What are the key properties of 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide?
3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(6-aminopyrazin-2-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 69045198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).