4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide

C26H25N7O3 — CID 67987761

IUPAC4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCOCC3)nc2)c1
InChIInChI=1S/C26H25N7O3/c1-35-21-10-18(11-28-16-21)17-2-5-23(30-12-17)33-24(34)26(6-8-36-9-7-26)20-3-4-22(29-15-20)19-13-31-25(27)32-14-19/h2-5,10-16H,6-9H2,1H3,(H2,27,31,32)(H,30,33,34)
InChIKeyAMFPKAORVJXFBT-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.27
Rot. Bonds6

About 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide

4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 67987761) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID67987761
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide
SMILESCOc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCOCC3)nc2)c1
InChIInChI=1S/C26H25N7O3/c1-35-21-10-18(11-28-16-21)17-2-5-23(30-12-17)33-24(34)26(6-8-36-9-7-26)20-3-4-22(29-15-20)19-13-31-25(27)32-14-19/h2-5,10-16H,6-9H2,1H3,(H2,27,31,32)(H,30,33,34)
InChIKeyAMFPKAORVJXFBT-UHFFFAOYSA-N
XLogP3.27
TPSA138.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide (CID 67987761) is 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide is COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)nc4)CCOCC3)nc2)c1.
What is the InChIKey of 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is AMFPKAORVJXFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-35-21-10-18(11-28-16-21)17-2-5-23(30-12-17)33-24(34)26(6-8-36-9-7-26)20-3-4-22(29-15-20)19-13-31-25(27)32-14-19/h2-5,10-16H,6-9H2,1H3,(H2,27,31,32)(H,30,33,34).
What are the key properties of 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide?
4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 67987761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).