N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide

C21H22N6O2 — CID 71135699

IUPACN-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
SMILESNc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1
InChIInChI=1S/C21H22N6O2/c22-17-5-6-18(24-13-17)27-19(28)21(7-9-29-10-8-21)16-3-1-14(2-4-16)15-11-25-20(23)26-12-15/h1-6,11-13H,7-10,22H2,(H2,23,25,26)(H,24,27,28)
InChIKeyZJKQOLJSVKPBID-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.39
Rot. Bonds4

About N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide

N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 71135699) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
PubChem CID71135699
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
SMILESNc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1
InChIInChI=1S/C21H22N6O2/c22-17-5-6-18(24-13-17)27-19(28)21(7-9-29-10-8-21)16-3-1-14(2-4-16)15-11-25-20(23)26-12-15/h1-6,11-13H,7-10,22H2,(H2,23,25,26)(H,24,27,28)
InChIKeyZJKQOLJSVKPBID-UHFFFAOYSA-N
XLogP2.39
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-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

N-(5-amino-6-methyl-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide
CID 67987785
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide
CID 67987851
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-chloro-3-fluorophenyl)oxane-4-carboxamide
CID 57406582
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide
CID 67973401
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 67987772
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-morpholin-4-ylphenyl)cyclobutane-1-carboxamide
CID 67987762
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 57405879
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 67987783
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-phenylmethoxyphenyl)oxane-4-carboxamide
CID 57406405
4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 67987743
1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclohexane-1-carboxamide
CID 67987735
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)oxane-4-carboxamide
CID 67987871

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide (CID 71135699) is N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide is Nc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is ZJKQOLJSVKPBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c22-17-5-6-18(24-13-17)27-19(28)21(7-9-29-10-8-21)16-3-1-14(2-4-16)15-11-25-20(23)26-12-15/h1-6,11-13H,7-10,22H2,(H2,23,25,26)(H,24,27,28).
What are the key properties of N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide?
N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4-[4-(2-aminopyrimidin-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 71135699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).