4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

C26H25N5O2S — CID 57406406

IUPAC4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc(N)nc5)cc4)CCOCC3)nc2)cs1
InChIInChI=1S/C26H25N5O2S/c1-17-30-22(16-34-17)20-5-9-24(29-15-20)31-25(32)26(10-12-33-13-11-26)21-6-2-18(3-7-21)19-4-8-23(27)28-14-19/h2-9,14-16H,10-13H2,1H3,(H2,27,28)(H,29,31,32)
InChIKeySVJHEWKANZRLOF-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.84
Rot. Bonds5

About 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide

4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (PubChem CID 57406406) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
PubChem CID57406406
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc(N)nc5)cc4)CCOCC3)nc2)cs1
InChIInChI=1S/C26H25N5O2S/c1-17-30-22(16-34-17)20-5-9-24(29-15-20)31-25(32)26(10-12-33-13-11-26)21-6-2-18(3-7-21)19-4-8-23(27)28-14-19/h2-9,14-16H,10-13H2,1H3,(H2,27,28)(H,29,31,32)
InChIKeySVJHEWKANZRLOF-UHFFFAOYSA-N
XLogP4.84
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide (CID 57406406) is 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is Cc1nc(-c2ccc(NC(=O)C3(c4ccc(-c5ccc(N)nc5)cc4)CCOCC3)nc2)cs1.
What is the InChIKey of 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
The InChIKey is SVJHEWKANZRLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-30-22(16-34-17)20-5-9-24(29-15-20)31-25(32)26(10-12-33-13-11-26)21-6-2-18(3-7-21)19-4-8-23(27)28-14-19/h2-9,14-16H,10-13H2,1H3,(H2,27,28)(H,29,31,32).
What are the key properties of 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide?
4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-3-pyridinyl)phenyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 57406406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).