6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide

C27H29N7O3 — CID 71541999

IUPAC6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4cc3N3CCCCC3)n2)cn1
InChIInChI=1S/C27H29N7O3/c28-25-8-7-18(17-29-25)19-5-4-6-20(30-19)26(35)31-21-16-24-22(15-23(21)33-9-2-1-3-10-33)32-27(37-24)34-11-13-36-14-12-34/h4-8,15-17H,1-3,9-14H2,(H2,28,29)(H,31,35)
InChIKeyZESIUXHWDKGOKC-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.95
Rot. Bonds5

About 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide

6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide (PubChem CID 71541999) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
PubChem CID71541999
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC Name6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
SMILESNc1ccc(-c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4cc3N3CCCCC3)n2)cn1
InChIInChI=1S/C27H29N7O3/c28-25-8-7-18(17-29-25)19-5-4-6-20(30-19)26(35)31-21-16-24-22(15-23(21)33-9-2-1-3-10-33)32-27(37-24)34-11-13-36-14-12-34/h4-8,15-17H,1-3,9-14H2,(H2,28,29)(H,31,35)
InChIKeyZESIUXHWDKGOKC-UHFFFAOYSA-N
XLogP3.95
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
The IUPAC name of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide (CID 71541999) is 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-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-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide is Nc1ccc(-c2cccc(C(=O)Nc3cc4oc(N5CCOCC5)nc4cc3N3CCCCC3)n2)cn1.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
The InChIKey is ZESIUXHWDKGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c28-25-8-7-18(17-29-25)19-5-4-6-20(30-19)26(35)31-21-16-24-22(15-23(21)33-9-2-1-3-10-33)32-27(37-24)34-11-13-36-14-12-34/h4-8,15-17H,1-3,9-14H2,(H2,28,29)(H,31,35).
What are the key properties of 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide?
6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71541999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).