N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide

C22H19N5O3 — CID 71542381

IUPACN-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cccc(-c2cccnc2)n1
InChIInChI=1S/C22H19N5O3/c28-21(19-5-1-4-17(25-19)15-3-2-8-23-14-15)24-16-6-7-18-20(13-16)30-22(26-18)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,28)
InChIKeyANJRGOGOHKYWQX-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.37
Rot. Bonds4

About N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide

N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 71542381) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide
PubChem CID71542381
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cccc(-c2cccnc2)n1
InChIInChI=1S/C22H19N5O3/c28-21(19-5-1-4-17(25-19)15-3-2-8-23-14-15)24-16-6-7-18-20(13-16)30-22(26-18)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,28)
InChIKeyANJRGOGOHKYWQX-UHFFFAOYSA-N
XLogP3.37
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide (CID 71542381) is N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1cccc(-c2cccnc2)n1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is ANJRGOGOHKYWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-21(19-5-1-4-17(25-19)15-3-2-8-23-14-15)24-16-6-7-18-20(13-16)30-22(26-18)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,28).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide?
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 71542381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).