N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide

C22H18FN7O2 — CID 121304926

IUPACN-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide
SMILESNc1ccc(-c2ccnc(N(CNC(=O)c3cccc(F)c3O)c3cnccn3)c2)cn1
InChIInChI=1S/C22H18FN7O2/c23-17-3-1-2-16(21(17)31)22(32)29-13-30(20-12-25-8-9-27-20)19-10-14(6-7-26-19)15-4-5-18(24)28-11-15/h1-12,31H,13H2,(H2,24,28)(H,29,32)
InChIKeyWDCIKZMYLUHCKT-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.89
Rot. Bonds6

About N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide

N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide (PubChem CID 121304926) has the molecular formula C22H18FN7O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide
PubChem CID121304926
Molecular FormulaC22H18FN7O2
Molecular Weight431.43 g/mol
Exact Mass431.15
IUPAC NameN-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide
SMILESNc1ccc(-c2ccnc(N(CNC(=O)c3cccc(F)c3O)c3cnccn3)c2)cn1
InChIInChI=1S/C22H18FN7O2/c23-17-3-1-2-16(21(17)31)22(32)29-13-30(20-12-25-8-9-27-20)19-10-14(6-7-26-19)15-4-5-18(24)28-11-15/h1-12,31H,13H2,(H2,24,28)(H,29,32)
InChIKeyWDCIKZMYLUHCKT-UHFFFAOYSA-N
XLogP2.89
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide (CID 121304926) is N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide is Nc1ccc(-c2ccnc(N(CNC(=O)c3cccc(F)c3O)c3cnccn3)c2)cn1.
What is the InChIKey of N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide?
The InChIKey is WDCIKZMYLUHCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O2/c23-17-3-1-2-16(21(17)31)22(32)29-13-30(20-12-25-8-9-27-20)19-10-14(6-7-26-19)15-4-5-18(24)28-11-15/h1-12,31H,13H2,(H2,24,28)(H,29,32).
What are the key properties of N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide?
N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide has a molecular weight of 431.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[4-(6-amino-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-3-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 121304926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).