N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide

C21H20FN5O2 — CID 146525523

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H20FN5O2/c22-16-4-1-14(2-5-16)18-7-6-17(23)20(25-18)26-21(28)15-3-8-19(24-13-15)27-9-11-29-12-10-27/h1-8,13H,9-12,23H2,(H,25,26,28)
InChIKeyGFIVYKYFGAHRTQ-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.95
Rot. Bonds4

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 146525523) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID146525523
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H20FN5O2/c22-16-4-1-14(2-5-16)18-7-6-17(23)20(25-18)26-21(28)15-3-8-19(24-13-15)27-9-11-29-12-10-27/h1-8,13H,9-12,23H2,(H,25,26,28)
InChIKeyGFIVYKYFGAHRTQ-UHFFFAOYSA-N
XLogP2.95
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 146525523) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide is Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is GFIVYKYFGAHRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-16-4-1-14(2-5-16)18-7-6-17(23)20(25-18)26-21(28)15-3-8-19(24-13-15)27-9-11-29-12-10-27/h1-8,13H,9-12,23H2,(H,25,26,28).
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 146525523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).