N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide

C20H20N6O2 — CID 117092024

IUPACN-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Nc2ccncn2)n1
InChIInChI=1S/C20H20N6O2/c27-20(17-2-1-3-19(24-17)25-18-8-9-21-14-22-18)23-15-4-6-16(7-5-15)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)(H,21,22,24,25)
InChIKeyDWUUVBYPHCGZLD-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.70
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide

N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide (PubChem CID 117092024) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
PubChem CID117092024
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Nc2ccncn2)n1
InChIInChI=1S/C20H20N6O2/c27-20(17-2-1-3-19(24-17)25-18-8-9-21-14-22-18)23-15-4-6-16(7-5-15)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)(H,21,22,24,25)
InChIKeyDWUUVBYPHCGZLD-UHFFFAOYSA-N
XLogP2.70
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide (CID 117092024) is N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Nc2ccncn2)n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
The InChIKey is DWUUVBYPHCGZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20(17-2-1-3-19(24-17)25-18-8-9-21-14-22-18)23-15-4-6-16(7-5-15)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)(H,21,22,24,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-(pyrimidin-4-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 117092024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).