3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C17H15N5O2 — CID 58065588

IUPAC3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C17H15N5O2/c18-16-15(17(24)21-13-2-1-7-19-8-13)22-14(9-20-16)12-5-3-11(10-23)4-6-12/h1-9,23H,10H2,(H2,18,20)(H,21,24)
InChIKeyGRXSTRJNPWXGNI-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.87
Rot. Bonds4

About 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 58065588) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID58065588
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C17H15N5O2/c18-16-15(17(24)21-13-2-1-7-19-8-13)22-14(9-20-16)12-5-3-11(10-23)4-6-12/h1-9,23H,10H2,(H2,18,20)(H,21,24)
InChIKeyGRXSTRJNPWXGNI-UHFFFAOYSA-N
XLogP1.87
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 58065588) is 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(CO)cc2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is GRXSTRJNPWXGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-16-15(17(24)21-13-2-1-7-19-8-13)22-14(9-20-16)12-5-3-11(10-23)4-6-12/h1-9,23H,10H2,(H2,18,20)(H,21,24).
What are the key properties of 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(hydroxymethyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 58065588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).