6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide

C22H20N6O3 — CID 71542476

IUPAC6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)n2)cn1
InChIInChI=1S/C22H20N6O3/c23-20-7-4-14(13-24-20)16-2-1-3-18(26-16)21(29)25-15-5-6-17-19(12-15)31-22(27-17)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29)
InChIKeyWAVSBTYNRVHVFV-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.96
Rot. Bonds4

About 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide

6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide (PubChem CID 71542476) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
PubChem CID71542476
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)n2)cn1
InChIInChI=1S/C22H20N6O3/c23-20-7-4-14(13-24-20)16-2-1-3-18(26-16)21(29)25-15-5-6-17-19(12-15)31-22(27-17)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29)
InChIKeyWAVSBTYNRVHVFV-UHFFFAOYSA-N
XLogP2.96
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Serabelisib
CID 70798655
CA-4948
CID 118224238
3-(4-(4-Morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol
CID 9884685
YM-201636
CID 9956222
SB-334867
CID 6604926
N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 122632882
1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280166
1-[7-(6-amino-2-pyridyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280184
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958720
1-(2-Methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea hydrochloride
CID 9798764

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide (CID 71542476) is 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide is Nc1ccc(-c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)oc4c3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
The InChIKey is WAVSBTYNRVHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c23-20-7-4-14(13-24-20)16-2-1-3-18(26-16)21(29)25-15-5-6-17-19(12-15)31-22(27-17)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71542476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).