2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide

C25H32N6O4 — CID 142774513

IUPAC2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(N(Cc2ccnc(OCCN3CCOCC3)c2)c2ncccc2C(N)=O)on1
InChIInChI=1S/C25H32N6O4/c1-25(2,3)20-16-22(35-29-20)31(24-19(23(26)32)5-4-7-28-24)17-18-6-8-27-21(15-18)34-14-11-30-9-12-33-13-10-30/h4-8,15-16H,9-14,17H2,1-3H3,(H2,26,32)
InChIKeyCJRCGAOHIBMKKI-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.91
Rot. Bonds9

About 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide

2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide (PubChem CID 142774513) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide
PubChem CID142774513
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Name2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(N(Cc2ccnc(OCCN3CCOCC3)c2)c2ncccc2C(N)=O)on1
InChIInChI=1S/C25H32N6O4/c1-25(2,3)20-16-22(35-29-20)31(24-19(23(26)32)5-4-7-28-24)17-18-6-8-27-21(15-18)34-14-11-30-9-12-33-13-10-30/h4-8,15-16H,9-14,17H2,1-3H3,(H2,26,32)
InChIKeyCJRCGAOHIBMKKI-UHFFFAOYSA-N
XLogP2.91
TPSA119.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide (CID 142774513) is 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide is CC(C)(C)c1cc(N(Cc2ccnc(OCCN3CCOCC3)c2)c2ncccc2C(N)=O)on1.
What is the InChIKey of 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide?
The InChIKey is CJRCGAOHIBMKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-25(2,3)20-16-22(35-29-20)31(24-19(23(26)32)5-4-7-28-24)17-18-6-8-27-21(15-18)34-14-11-30-9-12-33-13-10-30/h4-8,15-16H,9-14,17H2,1-3H3,(H2,26,32).
What are the key properties of 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide?
2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 142774513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).