6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide

C26H22N6O3 — CID 66988127

IUPAC6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ccccc5c4n3)c2)cn1
InChIInChI=1S/C26H22N6O3/c27-21-9-8-17(15-28-21)26(33)29-18-5-3-4-16(14-18)24-30-22-19-6-1-2-7-20(19)35-23(22)25(31-24)32-10-12-34-13-11-32/h1-9,14-15H,10-13H2,(H2,27,28)(H,29,33)
InChIKeyCEPNQURXLJWGEA-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.11
Rot. Bonds4

About 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide

6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 66988127) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID66988127
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ccccc5c4n3)c2)cn1
InChIInChI=1S/C26H22N6O3/c27-21-9-8-17(15-28-21)26(33)29-18-5-3-4-16(14-18)24-30-22-19-6-1-2-7-20(19)35-23(22)25(31-24)32-10-12-34-13-11-32/h1-9,14-15H,10-13H2,(H2,27,28)(H,29,33)
InChIKeyCEPNQURXLJWGEA-UHFFFAOYSA-N
XLogP4.11
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
CID 146621558
4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxylic acid
CID 20873532
N-benzyl-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108053
6-morpholin-4-yl-N-[3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 24788780
1-(6-amino-3-pyridinyl)-2-[3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]ethanone
CID 157355095
N-[(4-ethylphenyl)methyl]-4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 53108091
N-(3,4-difluorophenyl)-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 156599917
N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-2-fluoropropanamide
CID 73053951
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;hydrochloride
CID 52994815
4-[4-(2-chlorophenyl)piperazin-4-ium-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine chloride
CID 44662543
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 3317067

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide (CID 66988127) is 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide is Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ccccc5c4n3)c2)cn1.
What is the InChIKey of 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is CEPNQURXLJWGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c27-21-9-8-17(15-28-21)26(33)29-18-5-3-4-16(14-18)24-30-22-19-6-1-2-7-20(19)35-23(22)25(31-24)32-10-12-34-13-11-32/h1-9,14-15H,10-13H2,(H2,27,28)(H,29,33).
What are the key properties of 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(4-morpholin-4-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 66988127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).